727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	C(C[5a]N[5a]O[5a])(Cl)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	118.0222	0.526	6	118.0222	0.276	6	118.0222	0.276	6	117.3894	0.460	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3)	C(C[5a]N[5a]O[5a])(F)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3){1|C<3>}	C(C[5a]N[5a]O[5a])(F)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	116.4953	0.417	3	116.4953	0.174	3	116.4953	0.174	3	117.3894	0.460	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH)	C(C[5a]N[5a]O[5a])(F)2(H)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH){1|N<3>}	C(C[5a]N[5a]O[5a])(F)2(H)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	117.3894	0.460	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	117.2436	0.449	13	117.3994	0.248	18	117.3994	0.248	18	117.3894	0.460	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	117.8044	0.406	5	117.3994	0.248	18	117.3994	0.248	18	117.3894	0.460	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH)	C(C[5a]N[5a]O[5a])(Br)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH){1|C<3>,1|N<3>}	C(C[5a]N[5a]O[5a])(Br)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]O[5a])(Cl)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cl<1>,2|C<3>}	117.2530	0.000	1	117.8215	0.646	2	117.8215	0.646	2	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]O[5a])(Cl)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	118.3900	0.000	1	117.8215	0.646	2	117.8215	0.646	2	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	C(C[5a]N[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){2|C<3>}	C(C[5a]N[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	117.2570	0.000	1	117.2570	0.000	1	116.5475	1.007	2	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	C(C[5a]N[5a]O[5a])(F)3	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]N[5a]O[5a])(F)3	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	115.8380	0.000	1	115.8380	0.000	1	116.5475	1.007	2	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	116.2095	0.025	2	116.2095	0.001	2	116.3895	0.089	4	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.5695	0.371	2	116.5695	0.138	2	116.3895	0.089	4	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|Cl<1>,2|C<3>}	116.7320	0.000	1	116.7320	0.000	1	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	117.5340	0.000	1	117.3553	0.053	3	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<4>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	117.2660	0.239	2	117.3553	0.053	3	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	117.6620	0.000	1	117.3890	0.643	4	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	116.6560	0.000	1	117.3890	0.643	4	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	117.6190	1.100	2	117.3890	0.643	4	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	116.8690	0.253	3	116.9898	0.101	4	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	117.3520	0.000	1	116.9898	0.101	4	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]N[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[5a]N[5])(C[5a]N[5a]C){1|C<4>,2|C<3>}	117.6950	0.000	1	117.6950	0.000	1	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<3>,1|O<2>}	118.9670	0.652	2	118.2465	0.293	10	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	118.0664	0.362	8	118.2465	0.293	10	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	117.9640	0.000	1	117.9640	0.000	1	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C)2	119.0340	0.480	4	119.0340	0.230	4	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]O[5a])(H)3	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){3|C<4>}	118.0185	0.040	2	118.0185	0.002	2	117.8870	0.645	30	117.6864	0.857	39	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN)	C(C[5a]N[5a]O[5a])(NN)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]N[5a]O[5a])(NN)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	117.8240	0.000	1	117.8240	0.000	1	117.8240	0.000	1	117.2595	2.938	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	116.6615	2.009	10	116.6615	4.036	10	116.8414	3.480	12	117.2595	2.938	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OH)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]N[5a]O[5a])(OH)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	117.7410	0.110	2	117.7410	0.012	2	116.8414	3.480	12	117.2595	2.938	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS)	C(C[5a]N[5a]O[5a])(SC[5a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS){1|C<3>}	C(C[5a]N[5a]O[5a])(SC[5a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	117.8957	1.431	7	117.8957	2.048	7	117.8957	2.048	7	117.2595	2.938	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]O[5a])(OH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]O[5a])(OH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	115.0773	0.539	3	115.0773	0.291	3	115.0773	0.291	3	116.5844	3.423	9	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	117.3137	0.514	3	117.3137	0.264	3	116.9796	3.182	5	116.5844	3.423	9	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|S<2>}	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	116.4785	3.371	2	116.4785	11.362	2	116.9796	3.182	5	116.5844	3.423	9	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Se-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH)	C(C[5a]N[5a]O[5a])(SeC[5a])(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH){1|C<3>}	C(C[5a]N[5a]O[5a])(SeC[5a])(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	116.5844	3.423	9	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH){1|C<3>}	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	115.9600	0.102	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	115.9600	0.102	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]O[5a])(CNO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]O[5a])(CNO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.1880	0.000	1	116.1880	0.000	1	116.1880	0.000	1	117.4295	1.107	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])2(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]N[5a]O[5a])2(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.6125	0.971	2	116.6125	0.943	2	116.6125	0.943	2	117.4295	1.107	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|S<2>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|S<2>}	117.2380	0.000	1	117.2380	0.000	1	117.9985	1.157	2	117.4295	1.107	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH){1|S<1>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	118.7590	0.000	1	118.7590	0.000	1	117.9985	1.157	2	117.4295	1.107	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN)	C(C[5a]N[5a]O[5a])(NOO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN){1|C<3>}	C(C[5a]N[5a]O[5a])(NOO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	118.6010	0.000	1	118.6010	0.000	1	118.6010	0.000	1	117.4295	1.107	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH)	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH){1|S<2>}	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	117.4295	1.107	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH)	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH){1|C<3>}	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	118.2570	0.000	1	118.2570	0.000	1	118.2570	0.000	1	117.4295	1.107	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3)	C(C[5a]N[5a]O[5a])(NOO)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3){1|C<3>}	C(C[5a]N[5a]O[5a])(NOO)3	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	119.5890	0.485	2	119.5890	0.235	2	119.5890	0.235	2	119.5890	0.235	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:3:4:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:C-4:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN){2|C<3>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<2>,1|C<3>,1|H<1>}	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C){3|C<4>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	117.3470	0.806	2	117.3470	0.650	2	117.3470	0.650	2	117.3470	0.650	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]O[5a])(CF3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]O[5a])(CF3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){3|C<3>}	113.4590	0.000	1	113.4590	0.000	1	113.4590	0.000	1	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH){2|C<3>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	119.6685	1.489	6	119.6685	2.218	6	119.0293	1.975	11	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	118.5800	1.441	2	118.5800	2.077	2	119.0293	1.975	11	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]N[5a]C)2	118.3750	0.000	1	118.3750	0.000	1	119.0293	1.975	11	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C){1|H<1>,2|C<4>}	117.8880	0.833	2	117.8880	0.694	2	119.0293	1.975	11	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP)	C(C[5a]N[5a]O[5a])(PO3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP){2|C<3>}	C(C[5a]N[5a]O[5a])(PO3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS)	C(C[5a]N[5a]O[5a])(SCOO)(H)2	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS){1|C<4>}	C(C[5a]N[5a]O[5a])(SCOO)(H)2	O[5a](C[5a]N[5a]C)2	118.1150	0.000	1	118.1150	0.000	1	117.8855	0.105	2	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS)	C(C[5a]N[5a]O[5a])(SNOO)(H)2	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS){1|C<4>}	C(C[5a]N[5a]O[5a])(SNOO)(H)2	O[5a](C[5a]N[5a]C)2	117.6560	0.000	1	117.6560	0.000	1	117.8855	0.105	2	118.3775	3.629	15	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	114.6760	0.000	1	114.6760	0.000	1	114.6760	0.000	1	117.2631	3.640	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	O[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	O[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C){4|C<3>}	114.7710	0.000	1	114.7710	0.000	1	117.6943	2.807	6	117.2631	3.640	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|N<3>}	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	117.6290	0.000	1	117.6290	0.000	1	117.6943	2.807	6	117.2631	3.640	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|S<2>}	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	119.1015	0.672	2	119.1015	0.452	2	117.6943	2.807	6	117.2631	3.640	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|S<2>}	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	117.7815	1.027	2	117.7815	1.056	2	117.6943	2.807	6	117.2631	3.640	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CCHH)2(H)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH){1|C<4>}	C(C[5a]N[5a]O[5a])(CCHH)2(H)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.3340	0.000	1	115.3340	0.000	1	116.0815	1.118	2	117.8584	2.178	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.8290	0.000	1	116.8290	0.000	1	116.0815	1.118	2	117.8584	2.178	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CH3)2(H)	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	C(C[5a]N[5a]O[5a])(CH3)2(H)	O[5a](C[5a]N[5a]C)2	118.2985	0.671	2	118.5837	0.469	3	118.5837	0.469	3	117.8584	2.178	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CH3)2(H)	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<4>}	C(C[5a]N[5a]O[5a])(CH3)2(H)	O[5a](C[5a]N[5a]C)2	119.1540	0.000	1	118.5837	0.469	3	118.5837	0.469	3	117.8584	2.178	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH)	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH){2|C<3>}	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	119.5890	0.000	1	119.5890	0.000	1	118.5475	2.169	2	117.8584	2.178	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH){2|C<3>}	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	117.5060	0.000	1	117.5060	0.000	1	118.5475	2.169	2	117.8584	2.178	7	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	C(C[5a]N[5a]O[5a])(CH3)3	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>}	C(C[5a]N[5a]O[5a])(CH3)3	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	117.7500	0.072	2	117.7500	0.005	2	117.7353	0.002	4	117.7353	0.002	4	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	C(C[5a]N[5a]O[5a])(CH3)3	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>,1|O<1>}	C(C[5a]N[5a]O[5a])(CH3)3	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	117.7205	0.018	2	117.7205	0.000	2	117.7353	0.002	4	117.7353	0.002	4	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	2:2:4:	4:3:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH){1|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	116.7117	0.614	4	116.7117	0.377	4	116.7117	0.377	4	116.7117	0.377	4	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5,5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3)	C(C[5a]C[5,5a]O[5a])(H)3	O[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[5a]C[5,5a]O[5a])(H)3	O[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]){1|C<3>,1|C<4>}	117.5720	0.000	1	117.5720	0.000	1	117.5720	0.000	1	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<4>}	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3){1|C<4>}	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	115.3675	1.341	2	115.3675	1.799	2	115.3675	1.799	2	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]Br)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]Br)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|N<3>}	117.2430	0.000	1	117.2430	0.000	1	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	115.9577	0.628	9	116.0479	0.444	30	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	116.1032	0.756	9	116.0479	0.444	30	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	116.3715	1.050	2	116.0479	0.444	30	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	116.0146	0.644	10	116.0479	0.444	30	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CH3){1|C<3>,1|C<4>,2|O<2>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	115.6330	0.091	2	115.6330	0.008	2	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	116.3650	0.000	1	116.2520	0.026	2	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){3|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	116.1390	0.000	1	116.2520	0.026	2	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|N<3>}	117.7770	0.000	1	117.7770	0.000	1	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	115.9410	0.317	3	115.9676	0.339	37	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	116.4020	0.540	3	115.9676	0.339	37	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<2>}	115.7235	0.319	6	115.9676	0.339	37	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	115.9772	0.645	25	115.9676	0.339	37	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]I)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]I)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|I<1>,1|N<3>}	116.7770	0.000	2	116.7770	0.000	2	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>}	116.7235	0.517	2	116.7235	0.267	2	116.0783	0.426	77	116.0789	0.468	81	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){1|C<3>,1|C<4>}	117.2165	0.549	4	117.2165	0.301	4	116.5051	0.648	10	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)2	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)2{1|C<3>,1|C<4>}	115.8270	0.000	1	115.5325	0.173	2	116.5051	0.648	10	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)2	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<3>,3|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C)2{1|C<3>,1|C<4>}	115.2380	0.000	1	115.5325	0.173	2	116.5051	0.648	10	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	116.8810	0.000	1	116.2800	0.213	4	116.5051	0.648	10	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	116.2980	0.000	1	116.2800	0.213	4	116.5051	0.648	10	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){2|C<3>,2|C<4>}	115.9705	0.292	2	116.2800	0.213	4	116.5051	0.648	10	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrHH)	C(C[5a]C[5a]O[5a])(Br)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrHH){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(Br)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	114.7920	0.000	1	114.7920	0.000	1	116.1880	3.898	2	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CBrHH)	C(C[5a]C[5a]O[5a])(Br)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CBrHH){1|C<3>}	C(C[5a]C[5a]O[5a])(Br)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	117.5840	0.000	1	117.5840	0.000	1	116.1880	3.898	2	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH)	C(C[5a]C[5a]O[5a])(Cl)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH){1|C<3>}	C(C[5a]C[5a]O[5a])(Cl)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	115.4105	0.886	2	115.4105	0.785	2	115.7437	0.333	6	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){2|C<3>}	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.5970	0.393	2	115.5970	0.155	2	115.7437	0.333	6	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3){3|C<3>}	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	116.2170	0.000	1	116.2170	0.000	1	115.7437	0.333	6	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3){1|C<3>}	C(C[5a]C[5a]O[5a])(F)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	116.2300	0.000	1	116.2300	0.000	1	115.7437	0.333	6	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	115.9410	0.000	1	115.1483	0.485	3	115.6393	0.439	8	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	114.7520	0.168	2	115.1483	0.485	3	115.6393	0.439	8	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){2|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	116.2860	0.000	1	116.2860	0.000	1	115.6393	0.439	8	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>}	116.3600	0.000	1	115.8457	0.264	4	115.6393	0.439	8	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	115.6743	0.469	3	115.8457	0.264	4	115.6393	0.439	8	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	115.2490	0.062	3	115.1041	0.182	10	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	115.0895	0.193	2	115.1041	0.182	10	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.0230	0.612	5	115.1041	0.182	10	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	114.9230	0.177	2	114.9230	0.031	2	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	113.4095	0.237	2	113.4095	0.056	2	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	114.0200	0.668	2	114.0200	0.446	2	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	114.0890	0.000	1	114.0890	0.000	1	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.8700	0.000	1	115.8700	0.000	1	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	115.1005	0.145	2	115.2687	0.095	3	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.6050	0.000	1	115.2687	0.095	3	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|O<2>,1|S<2>,2|C<3>}	115.2230	0.327	2	115.3330	0.090	3	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|S<2>,3|C<3>}	115.5530	0.000	1	115.3330	0.090	3	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|S<3>,3|C<3>}	116.4070	0.000	1	115.6405	0.265	4	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|S<4>,3|C<3>}	115.3850	0.074	3	115.6405	0.265	4	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>}	115.6080	0.239	2	115.4516	0.395	186	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<3>,2|C<3>}	115.8328	0.374	25	115.4516	0.395	186	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>}	115.1582	0.293	18	115.4516	0.395	186	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	115.7743	0.304	9	115.4516	0.395	186	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	115.7350	0.564	69	115.4516	0.395	186	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	115.0055	0.591	62	115.4516	0.395	186	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	116.0980	0.000	1	115.4516	0.395	186	115.3929	0.433	214	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	116.1540	0.000	1	116.1540	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	116.9925	1.467	2	116.1506	1.263	5	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.5893	0.519	3	116.1506	1.263	5	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	115.5500	0.393	2	115.5500	0.155	2	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<2>,1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<2>,1|C<3>}	115.6500	0.000	1	115.5147	0.380	31	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	115.1850	0.362	2	115.5147	0.380	31	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	116.2079	0.204	9	115.5147	0.380	31	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	115.3292	0.419	13	115.5147	0.380	31	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	114.7975	0.228	2	115.5147	0.380	31	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{2|C<3>}	116.0880	0.000	1	115.5147	0.380	31	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	114.7010	0.459	3	115.5147	0.380	31	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.4590	0.000	1	115.4590	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.0340	0.000	1	115.5350	0.268	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	116.0680	0.000	1	115.5350	0.268	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|H<1>,2|C<3>,2|N<3>}	115.5030	0.000	1	115.5350	0.268	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	115.1945	0.657	4	115.5224	0.327	11	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|C<4>}	116.0725	0.258	2	115.5224	0.327	11	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	116.1360	0.000	1	115.5224	0.327	11	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.1490	0.000	1	115.5224	0.327	11	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	115.9580	0.000	1	115.5224	0.327	11	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	115.1210	0.000	1	115.5224	0.327	11	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	115.4590	0.000	1	115.5224	0.327	11	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	115.9140	0.000	1	115.9140	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	116.0995	0.465	4	116.0995	0.217	4	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,2|H<1>,2|O<2>}	115.3385	0.646	4	115.3385	0.417	4	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|Ru<5>,1|C<3>}	114.6930	0.000	1	114.6930	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	116.1500	0.000	1	115.8290	0.206	2	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{2|C<3>}	115.5080	0.000	1	115.8290	0.206	2	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.9180	0.000	1	115.9990	0.134	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	116.3990	0.000	1	115.9990	0.134	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	115.6800	0.000	1	115.9990	0.134	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	115.7450	0.000	1	115.7450	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|B<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C){2|C<3>,2|H<1>}	116.5910	0.000	1	116.5910	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){2|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.6000	0.000	1	115.6000	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<2>,1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	115.6630	0.000	1	115.3386	1.838	7	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<2>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	115.0572	1.529	5	115.3386	1.838	7	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	116.4210	0.000	1	115.3386	1.838	7	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|H<1>,1|P<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	115.6497	0.477	3	115.6497	0.227	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	115.9205	0.420	13	116.1755	0.431	71	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.2382	0.689	22	116.1755	0.431	71	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.2293	0.698	36	116.1755	0.431	71	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	116.2905	0.483	2	116.1477	0.427	9	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<3>}	115.8227	0.508	3	116.1477	0.427	9	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	116.7040	0.457	3	116.1477	0.427	9	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|Ru<8>,2|C<4>,2|H<1>}	115.1680	0.000	1	116.1477	0.427	9	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,3|H<1>}	115.9620	0.011	2	115.9620	0.000	2	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|H<1>}	115.6410	0.000	1	115.8147	0.228	9	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.7669	0.503	7	115.8147	0.228	9	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|S<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	116.3230	0.000	1	115.8147	0.228	9	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|Si<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	116.3320	0.000	1	115.9757	0.450	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|Si<5>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	115.7975	0.842	2	115.9757	0.450	3	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Ru)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]Ru)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|Ru<5>,1|C<3>}	114.2930	0.000	1	114.2930	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|S<4>}	115.7800	0.000	1	115.7800	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)2{1|H<1>,1|S<4>}	116.6410	0.806	2	116.6410	0.650	2	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	117.4270	0.540	2	117.4270	0.292	2	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	118.3910	0.000	1	118.3910	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	117.0530	0.000	1	117.0530	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|S<2>}	117.4690	0.000	1	117.4690	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|S<4>,2|C<3>}	117.2590	0.000	1	117.2590	0.000	1	115.9376	0.599	186	115.6661	0.616	428	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHHO)	C(C[5a]C[5a,6]O[5a])(OH)(H)2	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHHO){1|C<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a,6]O[5a])(OH)(H)2	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|C<4>}	116.0280	0.959	2	116.0280	0.919	2	116.0280	0.919	2	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CN)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CN)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	114.2450	0.000	1	114.2450	0.000	1	114.2450	0.000	1	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	118.1460	0.000	1	118.1460	0.000	1	116.2756	0.877	17	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	116.1087	0.462	6	116.1087	0.213	6	116.2756	0.877	17	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[5])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]O[5a])(OC[5])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	116.2090	0.000	1	116.2090	0.000	1	116.2756	0.877	17	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	115.4210	1.684	2	115.6170	1.006	4	116.2756	0.877	17	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	115.8130	0.170	2	115.6170	1.006	4	116.2756	0.877	17	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	116.0035	0.436	2	116.0035	0.190	2	116.2756	0.877	17	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(ON)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(ON)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	117.0680	1.076	3	117.0680	1.157	3	116.2756	0.877	17	116.1493	0.993	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NN)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(NN)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	116.0285	0.384	2	116.0285	0.147	2	116.0760	0.549	5	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.1077	1.010	3	116.1077	1.020	3	116.0760	0.549	5	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CHHO){2|C<3>}	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	115.7410	0.285	3	115.7410	0.081	3	115.7410	0.081	3	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	115.8283	0.652	3	115.8283	0.425	3	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.2980	0.000	1	116.2980	0.000	1	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.5690	0.000	1	116.5690	0.000	1	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	115.9640	0.000	1	115.9640	0.000	1	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.4350	0.000	1	116.4350	0.000	1	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.5612	0.434	5	116.5612	0.188	5	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|O<2>,3|H<1>}	116.9240	0.000	1	116.9240	0.000	1	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	115.0280	0.000	1	115.0280	0.000	1	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OH)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	117.8200	0.937	3	117.8200	0.878	3	116.5276	0.789	17	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SC)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(SC)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.3350	0.242	2	116.3350	0.058	2	116.3297	0.029	3	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SC[5])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){2|H<1>}	C(C[5a]C[5a]O[5a])(SC[5])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.3190	0.000	1	116.3190	0.000	1	116.3297	0.029	3	116.3415	0.632	28	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:2:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-2:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHS)	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHS){2|H<1>}	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.5910	0.000	1	116.5910	0.000	1	116.5910	0.000	1	116.5910	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	115.1355	1.730	2	115.1355	2.994	2	115.8417	2.993	3	116.5512	2.310	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	117.2540	0.000	1	117.2540	0.000	1	115.8417	2.993	3	116.5512	2.310	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NCC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	117.5200	0.000	1	117.5200	0.000	1	117.8710	0.240	3	116.5512	2.310	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NCH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	117.6620	0.000	1	117.6620	0.000	1	117.8710	0.240	3	116.5512	2.310	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.4310	0.000	1	118.4310	0.000	1	117.8710	0.240	3	116.5512	2.310	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	114.8330	0.000	1	114.8330	0.000	1	114.8330	0.000	1	116.5512	2.310	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	116.5512	2.310	8	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:F-1:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF)	C(C[5a]C[5a]O[5a])(COO)(F)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF){4|C<3>}	C(C[5a]C[5a]O[5a])(COO)(F)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCH)(H)2	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(CCH)(H)2	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CCO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	114.8930	0.000	1	114.8930	0.000	1	115.9158	0.208	49	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>}	116.0572	0.752	4	115.9371	0.190	48	115.9158	0.208	49	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<3>,2|C<3>}	115.5687	0.428	3	115.9371	0.190	48	115.9158	0.208	49	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	116.0272	0.440	19	115.9371	0.190	48	115.9158	0.208	49	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	115.8877	0.359	22	115.9371	0.190	48	115.9158	0.208	49	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	112.3590	0.000	1	112.3590	0.000	1	114.8840	3.127	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<4>}	112.9150	0.000	1	112.9150	0.000	1	114.8840	3.127	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|S<4>,3|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<4>,3|C<3>}	115.6120	0.000	1	115.6120	0.000	1	114.8840	3.127	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCO)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCO)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.4160	0.000	1	116.4160	0.000	1	114.8840	3.127	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	116.0010	0.098	2	116.0010	0.010	2	114.8840	3.127	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.3330	1.503	2	115.3330	2.260	2	115.6150	2.335	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	114.8837	0.150	3	114.8837	0.023	3	115.6150	2.335	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	118.3730	0.000	1	118.3730	0.000	1	115.6150	2.335	6	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	115.1520	0.000	1	115.1520	0.000	1	115.2728	0.726	4	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.5300	0.000	1	115.8780	0.242	2	115.2728	0.726	4	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	116.2260	0.000	1	115.8780	0.242	2	115.2728	0.726	4	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	114.1830	0.000	1	114.1830	0.000	1	115.2728	0.726	4	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	118.0440	3.865	9	118.0440	14.938	9	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCC)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCC)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	114.8990	0.000	1	114.8990	0.000	1	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.8497	1.260	15	116.8497	1.588	15	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCS)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCS)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	116.8675	0.255	2	116.8675	0.065	2	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[5]H)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(NC[5]H)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.5140	0.000	1	116.5140	0.000	1	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[5a]H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5a]H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.5300	0.000	1	117.5300	0.000	1	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.5640	0.000	1	115.5640	0.000	1	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.9360	0.522	3	115.9360	0.272	3	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	115.7740	0.000	2	115.7740	0.000	2	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.4935	1.476	22	116.4935	2.178	22	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCoC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCoC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.3080	0.629	3	116.3080	0.395	3	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NFeC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NFeC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.2024	0.789	5	116.2024	0.622	5	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NHH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NHH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.6455	0.667	2	116.6455	0.445	2	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NHP)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NHP)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	121.1750	0.000	1	121.1750	0.000	1	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NPdC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NPdC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.4910	0.000	1	115.4910	0.000	1	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NZnC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NZnC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.0240	0.000	1	116.0240	0.000	1	116.7359	3.502	70	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.6977	1.221	3	117.6977	1.490	3	116.7929	1.526	7	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.3490	0.780	3	116.3490	0.608	3	116.7929	1.526	7	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.4100	0.000	1	115.4100	0.000	1	116.7929	1.526	7	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.8460	0.496	2	116.8460	0.246	2	116.8460	0.246	2	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.3100	0.000	1	115.3100	0.000	1	117.4007	3.293	3	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	118.4460	0.171	2	118.4460	0.029	2	117.4007	3.293	3	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH)	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SFe2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){2|H<1>}	C(C[5a]C[5a]O[5a])(SFe2)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.2040	0.755	2	117.2040	0.570	2	117.2040	0.570	2	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	115.4655	0.066	2	115.4655	0.004	2	115.4655	0.004	2	116.2838	2.442	155	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|Br<1>,1|H<1>}	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	115.5040	0.487	4	115.5040	0.237	4	115.2490	0.401	6	115.9755	3.028	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|C<4>}	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	O[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	114.7390	0.716	2	114.7390	0.512	2	115.2490	0.401	6	115.9755	3.028	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO){2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.0680	1.522	2	117.0680	2.316	2	117.0680	2.316	2	115.9755	3.028	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	118.1400	2.529	2	118.1400	6.394	2	118.1400	6.394	2	115.9755	3.028	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	115.9755	3.028	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CC[5]H)(CCC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5]H)(CCC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.7730	0.000	1	116.7730	0.000	1	116.4005	0.278	2	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.0280	0.000	1	116.0280	0.000	1	116.4005	0.278	2	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	118.5810	0.000	1	118.5810	0.000	1	115.3689	2.214	7	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	114.7720	0.000	1	114.9004	0.278	5	115.3689	2.214	7	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	114.9325	0.603	4	114.9004	0.278	5	115.3689	2.214	7	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	114.4990	0.000	1	114.4990	0.000	1	115.3689	2.214	7	115.5301	1.550	11	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:3:2:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	115.5520	0.373	2	115.5520	0.139	2	115.5520	0.139	2	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:B-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	116.3710	0.656	2	116.3710	0.431	2	118.7198	9.155	5	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	121.6940	0.000	1	121.6940	0.000	1	118.7198	9.155	5	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	119.5815	3.850	2	119.5815	14.824	2	118.7198	9.155	5	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.1810	0.000	1	117.1810	0.000	1	116.2767	5.017	3	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	113.7260	0.000	1	113.7260	0.000	1	116.2767	5.017	3	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	117.9230	0.000	1	117.9230	0.000	1	116.2767	5.017	3	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:P-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	116.8330	0.000	1	116.8330	0.000	1	116.8330	0.000	1	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS){3|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	118.9750	0.000	1	118.9750	0.000	1	117.4907	1.728	3	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.7485	0.390	2	116.7485	0.152	2	117.4907	1.728	3	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH)	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.5400	0.000	1	116.5400	0.000	1	116.5050	0.002	2	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.4700	0.000	1	116.4700	0.000	1	116.5050	0.002	2	116.9010	5.414	20	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:2:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:N-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN){1|H<1>,1|O<2>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|H<1>}	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.3785	1.148	6	116.3785	1.317	6	116.0201	0.609	33	116.0201	0.609	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	115.7195	0.834	2	115.7195	0.695	2	116.0201	0.609	33	116.0201	0.609	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CCHH)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CCHH)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	115.9314	0.743	16	115.9314	0.552	16	116.0201	0.609	33	116.0201	0.609	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CH3)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CH3)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	115.7871	0.446	7	115.7871	0.199	7	116.0201	0.609	33	116.0201	0.609	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:3:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CH3)2	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|Se<3>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CH3)2	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]C){2|H<1>}	116.7700	0.402	2	116.7700	0.161	2	116.0201	0.609	33	116.0201	0.609	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH){1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	113.8820	0.000	1	113.8820	0.000	1	116.0496	1.131	13	116.1095	1.095	14	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	115.6906	0.467	5	115.9016	0.303	8	116.0496	1.131	13	116.1095	1.095	14	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	116.2533	0.573	3	115.9016	0.303	8	116.0496	1.131	13	116.1095	1.095	14	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	115.4420	0.000	1	116.4610	2.077	2	116.0496	1.131	13	116.1095	1.095	14	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	117.4800	0.000	1	116.4610	2.077	2	116.0496	1.131	13	116.1095	1.095	14	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	117.3140	0.983	2	117.3140	0.966	2	116.0496	1.131	13	116.1095	1.095	14	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NReCC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NReCC)(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	116.8880	0.000	1	116.8880	0.000	1	116.8880	0.000	1	116.1095	1.095	14	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:Br-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrCH)	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrCH){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF)	C(C[5a]C[5a]O[5a])(CF3)(F)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF){2|C<3>}	C(C[5a]C[5a]O[5a])(CF3)(F)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]C)	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(CCHH){2|C<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	114.8760	0.000	1	114.8760	0.000	1	114.8760	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	116.0170	0.000	1	116.0170	0.000	1	116.0170	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	114.4730	0.000	1	114.4730	0.000	1	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CF3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CF3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	114.3710	0.000	1	114.3710	0.000	1	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	113.7810	0.393	3	113.7810	0.154	3	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	114.1690	0.000	1	114.1690	0.000	1	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.4380	0.000	1	115.4380	0.000	1	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	115.9560	0.000	1	115.9560	0.000	1	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>}	115.1785	1.013	2	115.1785	1.027	2	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]P[6])(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]P[6])(O[5a]C[5a,6a])(CCHH){1|O<1>,2|C<3>,2|O<2>}	C(C[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	114.2730	0.000	1	114.2730	0.000	1	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>}	115.0580	0.000	1	115.0580	0.000	1	114.6198	0.648	12	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.3340	0.509	2	117.3340	0.259	2	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	115.5270	0.000	1	115.5270	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.8345	0.377	2	115.8345	0.142	2	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	114.9735	1.817	2	114.9735	3.300	2	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	118.5610	0.000	1	118.5610	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	O[5a](C[5a]C[5a]C)2{2|C<3>}	114.6295	0.353	2	114.6295	0.125	2	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	115.5330	0.000	1	115.5330	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,2|H<1>,2|O<2>}	116.1420	0.000	1	116.1420	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC3)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]O[5a])(CC3)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.4730	0.000	1	115.4730	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	115.9265	1.344	2	115.9265	1.807	2	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	112.1960	0.000	1	112.1960	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	115.8947	0.872	3	115.9890	0.443	5	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|S<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C)2{1|H<1>,1|S<4>}	116.1305	0.426	2	115.9890	0.443	5	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	116.2650	0.000	1	116.2650	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHN)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.3200	0.000	1	116.3200	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.8220	0.000	1	116.8220	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	117.4640	0.000	1	117.4640	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	117.2430	0.029	3	117.2430	0.001	3	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCFF)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCFF)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	117.8550	0.000	1	117.8550	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	117.2320	0.000	1	117.2320	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	116.5550	0.000	1	116.5550	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	116.8060	0.000	1	116.8060	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	118.4060	0.000	1	118.4060	0.000	1	116.2493	1.748	33	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5]HH)	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.1780	0.133	2	117.1780	0.018	2	116.8743	0.129	4	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.5705	0.028	2	116.5705	0.001	2	116.8743	0.129	4	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NAlCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NAlCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.9200	0.315	4	117.9200	0.099	4	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCCH)(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.2640	0.000	1	116.2640	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCHH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|H<1>,1|I<1>}	C(C[5a]C[5a]O[5a])(NCHH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]I){2|H<1>}	116.2120	0.000	1	116.2120	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCHH)(H)2	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.6510	0.000	1	115.6510	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCdCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCdCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	118.4720	0.000	1	118.4720	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCoCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCoCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.7560	0.000	1	115.7560	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NH3)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NH3)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.9260	0.000	1	116.9260	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NNiCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NNiCC)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.7050	0.000	1	117.7050	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NPtCH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NPtCH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.2290	0.000	1	117.2290	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NRuHH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NRuHH)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.7600	0.000	1	117.7600	0.000	1	117.2042	0.914	13	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:P[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CP[6]HH)	C(C[5a]C[5a]O[5a])(P[6]O[6]2O)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CP[6]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(P[6]O[6]2O)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHHS)	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHHS){2|C<3>}	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Si-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH)	C(C[5a]C[5a]O[5a])(SiC3)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH){3|C<3>}	C(C[5a]C[5a]O[5a])(SiC3)(H)2	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	114.2750	0.000	1	114.2750	0.000	1	114.2750	0.000	1	116.2157	2.404	71	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.1970	0.000	1	116.1970	0.000	1	116.1970	0.000	1	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	114.2690	0.000	1	114.2690	0.000	1	114.1138	0.772	5	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	113.9580	0.000	1	113.9580	0.000	1	114.1138	0.772	5	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.5130	0.000	1	115.5130	0.000	1	114.1138	0.772	5	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	113.4145	0.322	2	113.4145	0.104	2	114.1138	0.772	5	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	O[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	115.0700	0.000	1	115.0700	0.000	1	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.7400	0.000	1	116.7400	0.000	1	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	112.3038	0.391	4	112.3038	0.153	4	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.9520	2.117	3	116.9520	4.482	3	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.7660	0.000	1	115.7660	0.000	1	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.7420	0.000	1	116.7420	0.000	1	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	115.6705	0.630	2	115.6705	0.397	2	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.4760	0.000	1	116.4760	0.000	1	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	115.2365	1.027	2	115.2365	1.056	2	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.5446	0.688	5	116.5446	0.474	5	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.7840	0.000	1	116.7840	0.000	1	115.5539	3.404	22	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.7430	0.000	1	117.7430	0.000	1	116.8090	0.601	4	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.2800	0.000	1	116.2800	0.000	1	116.8090	0.601	4	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){1|Cl<1>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	116.6065	0.754	2	116.6065	0.569	2	116.8090	0.601	4	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:P-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHOP)	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHOP){2|H<1>}	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	120.5100	0.000	1	120.5100	0.000	1	120.5100	0.000	1	115.6575	3.677	33	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.4260	0.000	1	116.4260	0.000	1	116.9313	3.328	3	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.1840	2.505	2	117.1840	6.273	2	116.9313	3.328	3	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.0050	0.000	1	116.0050	0.000	1	116.4341	1.446	19	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.4317	1.120	15	116.4317	1.256	15	116.4341	1.446	19	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.4235	0.196	2	115.4235	0.038	2	116.4341	1.446	19	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]O)(O[5a]C[5a])(CCHN){1|C<3>}	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	118.9200	0.000	1	118.9200	0.000	1	116.4341	1.446	19	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H){2|C<3>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN)	C(C[5a]C[5a]O[5a])(C[5]C[5]2Fe)(NHS)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2Fe)(NHS)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.5950	0.000	1	117.5950	0.000	1	117.5000	0.018	2	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.4050	0.000	1	117.4050	0.000	1	117.5000	0.018	2	116.6009	1.471	25	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:3:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3)	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a,6a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH)	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	115.8700	0.584	3	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)2(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCCH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)2(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	115.0670	0.000	1	115.0670	0.000	1	115.8275	1.157	2	115.8700	0.584	3	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCCH){1|C<3>}	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	116.5880	0.000	1	116.5880	0.000	1	115.8275	1.157	2	115.8700	0.584	3	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH){1|C<4>,3|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	115.1094	2.967	5	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	116.0110	0.000	1	116.0110	0.000	1	116.0363	0.088	3	115.1094	2.967	5	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.3450	0.000	1	116.3450	0.000	1	116.0363	0.088	3	115.1094	2.967	5	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)2(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)2(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	115.7530	0.000	1	115.7530	0.000	1	116.0363	0.088	3	115.1094	2.967	5	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	115.1094	2.967	5	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:2:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O)	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O){2|H<1>}	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:3:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	115.6495	0.359	2	115.6495	0.129	2	115.6495	0.129	2	115.6495	0.129	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC3){1|C<3>}	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	115.2590	0.000	1	115.2590	0.000	1	115.7180	0.421	2	115.7180	0.421	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC3){1|N<3>}	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	116.1770	0.000	1	116.1770	0.000	1	115.7180	0.421	2	115.7180	0.421	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3)	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	114.8467	0.362	3	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC3){2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	114.1800	0.000	1	114.1800	0.000	1	114.5950	0.344	2	114.8467	0.362	3	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3){1|C<4>,2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)3	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	115.0100	0.000	1	115.0100	0.000	1	114.5950	0.344	2	114.8467	0.362	3	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CC[5,5]HH){1|C<3>,1|C<4>,2|O<2>}	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	115.2710	0.000	1	115.2710	0.000	1	116.8270	4.842	2	116.6545	2.673	6	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5,5]HH){1|C<4>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	118.3830	0.000	1	118.3830	0.000	1	116.8270	4.842	2	116.6545	2.673	6	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	115.6050	0.000	1	115.6050	0.000	1	116.5683	2.811	4	116.6545	2.673	6	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	115.8330	0.000	1	115.8330	0.000	1	116.5683	2.811	4	116.6545	2.673	6	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	117.4175	2.350	2	117.4175	5.521	2	116.5683	2.811	4	116.6545	2.673	6	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)2{2|H<1>}	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	116.7505	0.217	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH){1|C<4>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	117.0800	0.000	1	117.0800	0.000	1	117.0800	0.000	1	116.7505	0.217	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:2:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5,6]-4:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5,6]HO){2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH)	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH){2|C<4>}	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	O[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:4:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH)	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH){1|C<4>}	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	115.4290	0.000	1	115.4290	0.000	1	116.0450	0.759	2	116.0450	0.759	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	3:2:4:	4:3:4:1:	3:2:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]CH){1|C<4>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	116.6610	0.000	1	116.6610	0.000	1	116.0450	0.759	2	116.0450	0.759	2	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	114.8574	2.336	5	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	O[5a](C[5a]C[5a]C)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	114.2798	0.943	4	114.2798	0.890	4	114.2798	0.890	4	114.8574	2.336	5	116.1563	1.760	1126	116.1563	1.760	1126
727	490	537	0:SP2_SP2_SP3	C[5a]	C	O[5a]	4:3:2:	4:3:3:1:	3:3:	C-4:C[5a]-3:O[5a]-2:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	O[5a](C[5a]C[5a]C)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	116.1563	1.760	1126	116.1563	1.760	1126
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3)	C(C[5a]C[5,5a]O[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[5a]C[5,5a]O[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	134.8890	0.000	1	134.8890	0.000	1	134.8890	0.000	1	134.8890	0.000	1	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:2:4:	3:1:1:1:	3:4:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3){1|H<1>,4|C<3>}	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C){5|C<3>}	129.1890	0.000	1	129.1890	0.000	1	129.8900	0.983	2	129.8900	0.983	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:2:4:	3:1:1:1:	3:4:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C){3|C<3>}	130.5910	0.000	1	130.5910	0.000	1	129.8900	0.983	2	129.8900	0.983	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C)	C[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]N[5a])(CH3){1|C<3>,4|C<4>}	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C){1|C<3>,2|C<4>,5|H<1>}	128.8710	0.000	1	128.8710	0.000	1	128.8710	0.000	1	128.8710	0.000	1	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:2:4:	3:3:4:4:	3:3:4:	C[5,5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CC[5a]CC){2|H<1>,3|C<4>}	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH){1|C<4>,4|H<1>}	128.1365	0.653	2	128.1365	0.426	2	128.1365	0.426	2	128.1365	0.426	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH)	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C)	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,2|C<4>}	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C){4|H<1>}	132.1830	0.000	1	132.1830	0.000	1	132.1830	0.000	1	132.1830	0.000	1	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CCHH)	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]O[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CCHH){1|O<2>,2|C<3>,2|H<1>}	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]O[5]HH){1|C<3>,1|O<1>}	130.5675	1.047	2	130.5675	1.097	2	130.5675	1.097	2	130.5675	1.097	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(S[5]C[5]){1|C<4>,1|S<1>}	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	126.3230	19.581	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:O[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5]){1|O<1>,3|C<3>}	129.4520	0.000	1	129.4520	0.000	1	129.4520	0.000	1	126.3230	19.581	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	130.1560	0.000	1	130.1560	0.000	1	130.1560	0.000	1	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3)	C(C[5a]C[5,5a]C[5a])(F)3	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3){1|Ga<5>,1|N<3>,2|C<3>}	C(C[5a]C[5,5a]C[5a])(F)3	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<3>,2|N<3>,3|C<3>}	124.1720	0.000	1	124.1720	0.000	1	124.1720	0.000	1	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){2|H<1>,3|C<3>}	127.9945	0.233	2	129.1770	2.540	4	128.4634	4.451	5	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){1|Ni<4>,2|C<3>,2|H<1>}	130.3595	1.405	2	129.1770	2.540	4	128.4634	4.451	5	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3){3|S<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S){1|H<1>}	125.6090	0.000	1	125.6090	0.000	1	128.4634	4.451	5	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|Si<6>,1|C<3>,1|C<4>,1|O<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	127.0195	0.773	2	127.0195	0.597	2	127.0195	0.597	2	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|P<4>,1|S<1>,1|S<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S){1|C<3>,1|S<1>,2|C<4>}	126.8950	0.000	1	126.8950	0.000	1	126.8950	0.000	1	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3)	C(C[5a]C[5,5a]N[5a])(F)3	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3){1|N<3>,1|O<1>,2|C<3>}	C(C[5a]C[5,5a]N[5a])(F)3	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	131.3755	0.373	2	131.3755	0.139	2	131.3755	0.139	2	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C(C[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>}	132.3160	0.986	2	132.3160	0.972	2	132.3160	0.972	2	128.9259	7.006	14	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,3|H<1>}	128.0155	0.402	2	128.0155	0.162	2	128.0155	0.162	2	127.2976	2.599	5	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	127.2976	2.599	5	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	128.4420	0.000	1	127.9800	0.427	2	127.9800	0.427	2	127.2976	2.599	5	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	127.5180	0.000	1	127.9800	0.427	2	127.9800	0.427	2	127.2976	2.599	5	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(CH3){1|S<2>,2|O<1>,3|C<3>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]C){1|S<2>,2|C<3>}	123.0855	0.503	2	123.0855	0.253	2	123.0855	0.253	2	126.8890	4.012	11	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,3|H<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C){2|C<3>,2|H<1>}	126.9960	0.000	2	126.9960	0.000	2	126.9960	0.000	2	126.8890	4.012	11	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,2|H<1>,5|C<3>}	127.5630	0.000	1	127.9687	0.616	6	127.9451	0.517	7	126.8890	4.012	11	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){2|H<1>,6|C<3>}	128.0498	0.849	5	127.9687	0.616	6	127.9451	0.517	7	126.8890	4.012	11	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){1|N<3>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C){1|O<1>,5|C<3>}	127.8040	0.000	1	127.8040	0.000	1	127.9451	0.517	7	126.8890	4.012	11	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	128.9410	0.020	2	128.9410	0.000	2	128.9410	0.000	2	128.9410	0.000	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a]-3:B[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H)	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF){1|O<1>,2|C<3>}	129.0565	1.136	2	129.0565	1.291	2	129.0565	1.291	2	129.0565	1.291	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:3:4:4:	3:3:2:	C[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5,5a]N[5a])2(CH3)2	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]C)(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5,5a]N[5a])2(CH3)2	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]C)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	133.3420	0.459	7	133.3420	0.211	7	133.3420	0.211	7	133.3420	0.211	7	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH){1|C<3>,1|S<2>}	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(S[5]C[5]){1|C<4>,1|S<1>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]N)(CCHH)	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]O[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]N)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]O[5]HH){1|C<3>,1|N<2>,2|H<1>}	129.5840	0.000	1	129.5840	0.000	1	129.5840	0.000	1	127.5620	7.147	3	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	128.5710	0.000	1	128.5710	0.000	1	126.5510	8.161	2	127.5620	7.147	3	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC){1|O<1>,2|C<3>}	124.5310	0.000	1	124.5310	0.000	1	126.5510	8.161	2	127.5620	7.147	3	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C){1|H<1>,2|C<3>}	134.6030	0.000	1	134.6030	0.000	1	134.6030	0.000	1	131.6310	17.666	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|C<2>,2|H<1>,5|C<3>}	128.6590	0.000	1	128.6590	0.000	1	128.6590	0.000	1	131.6310	17.666	2	128.9972	8.970	58	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]C[5a]2)(C[5a]N[5a]C){1|H<1>,4|C<3>}	128.8540	0.000	1	128.8540	0.000	1	129.4676	1.092	5	129.4676	1.092	5	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|C<2>,1|C<4>,1|N<2>,1|S<2>}	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C){1|C<4>}	128.7750	0.000	1	129.6210	1.299	4	129.4676	1.092	5	129.4676	1.092	5	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C){1|C<4>}	129.9030	1.213	3	129.6210	1.299	4	129.4676	1.092	5	129.4676	1.092	5	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>}	124.1603	0.506	4	124.1603	0.256	4	124.1603	0.256	4	124.1603	0.256	4	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|N<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	126.5755	0.709	2	126.5755	0.503	2	126.5755	0.503	2	126.5755	0.503	2	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2{2|C<2>}	125.2897	0.851	4	124.6603	0.551	10	124.6603	0.551	10	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2{2|C<3>}	124.2407	0.167	6	124.6603	0.551	10	124.6603	0.551	10	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3){3|C<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	126.0430	0.000	1	126.0430	0.000	1	126.0430	0.000	1	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|F<1>}	130.7760	0.000	1	130.7760	0.000	1	130.7760	0.000	1	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]O)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]O)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|C<4>,3|C<3>}	135.0795	0.562	2	135.0795	0.316	2	135.0795	0.316	2	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.1430	0.619	2	126.1430	0.384	2	126.1430	0.384	2	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	130.2950	0.000	1	130.2950	0.000	1	130.2950	0.000	1	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:N[5a,5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3)	C(C[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3){1|B<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	129.4050	0.000	1	129.4050	0.000	1	129.4050	0.000	1	126.9759	13.190	18	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2{2|C<3>}	124.4835	0.965	2	124.4835	0.932	2	124.4835	0.932	2	124.4835	0.932	2	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[5a]2H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[5a]2H){1|N<3>,3|C<3>}	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)2{1|Ni<4>,1|H<1>,2|C<3>}	136.0990	0.000	2	136.0990	0.000	2	136.0990	0.000	2	136.0990	0.000	2	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH){2|C<3>}	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	122.8780	0.000	1	122.8780	0.000	1	122.8780	0.000	1	122.8780	0.000	1	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH)	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH){1|N<2>,1|S<2>,2|C<3>}	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	121.7810	0.000	1	121.7810	0.000	1	123.2485	4.307	2	123.2485	4.307	2	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH){2|C<3>}	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	124.7160	0.000	1	124.7160	0.000	1	123.2485	4.307	2	123.2485	4.307	2	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH)	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH){1|C<3>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<1>}	124.6110	0.000	1	124.6110	0.000	1	124.6110	0.000	1	124.6110	0.000	1	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,5a]	3:4:3:	3:3:3:1:	3:3:2:	C[5a,5a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>}	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	130.2350	0.461	2	130.2350	0.213	2	130.2350	0.213	2	130.2350	0.213	2	127.1364	14.413	39	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6]-3:N[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[3x6]-4:C[5a,6,6]-3:C[5a]-3:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a,6]B[6])(CH3)	C(C[5a]C[5a,6,6]N[5a,6])(H)3	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a,6]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|F<1>}	C(C[5a]C[5a,6,6]N[5a,6])(H)3	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	128.5925	0.262	2	128.5925	0.069	2	128.5925	0.069	2	128.5925	0.069	2	128.5925	0.069	2	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6])	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6]){1|C<3>,1|C<4>}	129.0830	0.000	1	129.0830	0.000	1	129.0830	0.000	1	128.9887	0.312	3	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(CH3)	C(C[5a]C[5a,6]S[5a])(H)3	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,6]S[5a])(H)3	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6]){1|C<3>,1|C<4>,1|S<2>}	128.9415	0.781	2	128.9415	0.611	2	128.9415	0.611	2	128.9887	0.312	3	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	128.3490	0.000	1	128.3490	0.000	1	128.6570	0.081	3	131.7017	8.256	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	128.8110	0.140	2	128.8110	0.020	2	128.6570	0.081	3	131.7017	8.256	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	127.4200	0.000	1	127.4200	0.000	1	127.4200	0.000	1	131.7017	8.256	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O){1|C<4>,2|O<2>,3|H<1>}	133.8750	0.525	4	133.8750	0.276	4	133.8750	0.276	4	131.7017	8.256	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<3>,3|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C){2|C<3>,2|C<4>,4|H<1>}	135.0890	0.000	1	135.0890	0.000	1	134.4510	0.814	2	131.7017	8.256	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C){2|H<1>,3|C<3>}	133.8130	0.000	1	133.8130	0.000	1	134.4510	0.814	2	131.7017	8.256	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3)	C(C[5a]C[5a,6]S[5a])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3){1|C<3>,3|C<4>}	C(C[5a]C[5a,6]S[5a])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C){1|S<4>,2|F<1>,5|C<4>}	130.9260	0.000	1	130.9260	0.000	1	130.9260	0.000	1	131.7017	8.256	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6]N[5a])(F)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5a,6]N[5a])(F)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	127.9710	0.000	1	127.9710	0.000	1	127.9710	0.000	1	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	128.4680	0.000	1	128.4680	0.000	1	128.3498	0.046	4	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	128.2680	0.000	1	128.2680	0.000	1	128.3498	0.046	4	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS){1|C<4>,2|C<3>}	128.5740	0.000	1	128.5740	0.000	1	128.3498	0.046	4	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH){1|H<1>,2|C<3>}	128.0890	0.000	1	128.0890	0.000	1	128.3498	0.046	4	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC){2|C<3>,2|H<1>}	130.7630	0.000	1	130.7630	0.000	1	130.7630	0.000	1	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	134.4660	0.000	1	134.3660	0.020	2	134.3660	0.020	2	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	134.2660	0.000	1	134.3660	0.020	2	134.3660	0.020	2	130.1081	7.683	8	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C){1|H<1>,2|C<3>,3|C<4>}	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	127.5425	0.013	2	128.4219	0.766	7	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|N<3>,2|H<1>,4|C<3>}	127.6210	0.000	1	128.4219	0.766	7	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){3|H<1>,4|C<3>}	129.0618	0.507	4	128.4219	0.766	7	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C){3|C<3>}	127.3800	0.000	1	127.3800	0.000	1	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.3480	0.000	1	127.9577	0.907	11	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	127.2700	0.000	1	127.9577	0.907	11	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	129.0043	0.524	3	127.9577	0.907	11	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,4|C<3>}	127.5380	0.000	1	127.9577	0.907	11	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	127.6732	0.976	5	127.9577	0.907	11	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>,2|O<2>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	127.9200	0.000	1	127.9200	0.000	1	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,2|H<1>,2|N<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C){2|C<3>,2|C<4>}	127.8607	0.623	4	127.8607	0.389	4	128.0513	0.718	24	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]O[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]O[5a]C){1|O<2>,7|C<3>}	134.1285	0.237	2	134.1285	0.056	2	134.1793	0.036	3	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CH3)	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a,6]O[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C){1|C<4>,3|C<3>,3|H<1>}	134.2810	0.000	1	134.2810	0.000	1	134.1793	0.036	3	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3)	C(C[5a]C[5a,6]S[5a])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3){1|C<3>,1|S<4>,3|C<4>}	C(C[5a]C[5a,6]S[5a])(H)3	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	130.9800	0.000	1	130.9800	0.000	1	130.9800	0.000	1	128.7660	4.405	29	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,2|C<2>,2|C<3>}	130.0680	0.000	1	130.0680	0.000	1	128.9824	4.589	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	134.6540	0.000	1	129.2716	9.121	5	128.9824	4.589	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|O<2>,4|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	127.9260	0.302	4	129.2716	9.121	5	128.9824	4.589	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|O<2>,4|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,5|C<3>}	127.8210	0.576	2	127.8210	0.331	2	128.9824	4.589	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]O[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	128.8780	0.404	2	128.8780	0.164	2	128.9824	4.589	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	129.5600	0.000	1	129.5600	0.000	1	129.3869	1.752	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	131.3470	0.764	2	131.3470	0.583	2	129.3869	1.752	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|C<4>,4|C<3>}	128.3210	0.000	1	128.9623	0.799	6	129.3869	1.752	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,2|C<4>,3|C<3>}	128.4390	0.223	2	128.9623	0.799	6	129.3869	1.752	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	129.5250	1.010	3	128.9623	0.799	6	129.3869	1.752	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	127.8410	0.000	1	127.8410	0.000	1	129.3869	1.752	10	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	127.9020	0.000	1	127.9020	0.000	1	127.8787	0.027	3	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	127.8670	0.232	2	127.8670	0.054	2	127.8787	0.027	3	129.0143	2.836	23	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:2:1:1:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHO)	C(C[5a]C[5a,6]S[5a])(OH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHO){1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a,6]S[5a])(OH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	127.1400	0.000	1	127.1400	0.000	1	127.1400	0.000	1	127.1400	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:2:1:1:	3:3:4:	C[5a,6]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHHO)	C(C[5a]C[5a,6]O[5a])(OH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHHO){1|C<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a,6]O[5a])(OH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH){2|C<3>}	134.4080	1.038	2	134.4080	1.078	2	134.4080	1.078	2	134.4080	1.078	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a,6]S[5a])2(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH){1|Br<1>,1|C<4>,1|O<2>}	C(C[5a]C[5a,6]S[5a])2(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	128.4390	3.915	2	128.4390	15.324	2	128.4390	15.324	2	128.3220	7.041	4	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHN)	C(C[5a]C[5a,6]S[5a])(NCC)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHN){1|C<4>,1|I<1>,1|O<2>}	C(C[5a]C[5a,6]S[5a])(NCC)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	128.2050	2.397	2	128.2050	5.746	2	128.2050	5.746	2	128.3220	7.041	4	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6]N[5a])(CCH)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(CCH)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,2|C<3>}	128.0170	0.000	1	128.0170	0.000	1	128.0170	0.000	1	128.0170	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:3:4:1:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH)	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH){1|C<4>,1|I<1>,1|O<2>}	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	126.2240	0.460	2	126.2240	0.211	2	126.2240	0.211	2	126.2240	0.211	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	129.3850	0.000	1	129.3850	0.000	1	129.3850	0.000	1	130.8770	1.690	3	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	131.6230	0.204	2	131.6230	0.041	2	131.6230	0.041	2	130.8770	1.690	3	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:4:4:4:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH){1|C<3>,2|C<4>}	128.2097	0.420	7	128.2097	0.176	7	128.2097	0.176	7	128.2097	0.176	7	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:4:4:4:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]HH)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]HH)(C[5a]N[5a]C){2|C<4>,3|C<3>}	128.1960	0.000	1	128.1960	0.000	1	129.1655	1.634	6	129.1655	1.634	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:4:4:4:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	128.9010	0.000	1	129.3594	1.761	5	129.1655	1.634	6	129.1655	1.634	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:2:4:	3:4:4:4:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){2|C<4>,3|C<3>}	129.4740	1.504	4	129.3594	1.761	5	129.1655	1.634	6	129.1655	1.634	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3){1|C<3>,1|S<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	128.0820	0.000	1	128.0820	0.000	1	128.0820	0.000	1	128.0820	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3)	C(C[5a]C[5a,6]2)(H)3	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6]2)(H)3	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C){1|B<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.4480	0.320	2	130.4480	0.102	2	130.4480	0.102	2	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3)	C(C[5a]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	123.0310	0.018	2	123.0310	0.000	2	123.0310	0.000	2	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	127.6720	0.000	1	127.6720	0.000	1	127.6720	0.000	1	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	129.1080	0.232	2	129.2143	0.061	3	129.2143	0.061	3	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	129.4270	0.000	1	129.2143	0.061	3	129.2143	0.061	3	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3)	C(C[5a]C[5a,6]C[5a])(F)3	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3){1|Ga<5>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(F)3	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<3>,3|N<3>,4|C<3>}	127.6670	0.000	1	127.6670	0.000	1	128.2645	0.714	2	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3)	C(C[5a]C[5a,6]C[5a])(F)3	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3){1|Ga<5>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(F)3	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	128.8620	0.000	1	128.8620	0.000	1	128.2645	0.714	2	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[4,6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[4,6]C[4,6]C[4])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[4,6]C[4,6]C[4])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|F<1>}	124.5570	0.000	1	124.5570	0.000	1	124.5570	0.000	1	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3){1|O<1>,4|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|O<1>,3|C<3>}	124.5720	0.000	1	124.5720	0.000	1	127.4620	3.546	11	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,3|H<1>}	130.9390	0.000	1	130.6260	0.196	2	127.4620	3.546	11	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	130.3130	0.000	1	130.6260	0.196	2	127.4620	3.546	11	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	125.8095	0.839	2	125.8095	0.704	2	127.4620	3.546	11	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,2|C<3>,2|F<1>}	127.5690	0.000	1	127.4398	0.144	6	127.4620	3.546	11	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|O<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	127.4140	0.419	5	127.4398	0.144	6	127.4620	3.546	11	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	128.5490	0.000	1	128.5490	0.000	1	128.6110	0.008	2	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	128.6730	0.000	1	128.6730	0.000	1	128.6110	0.008	2	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	129.4497	0.380	3	129.4238	0.727	5	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	129.3850	1.616	2	129.4238	0.727	5	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	129.4093	0.475	11	128.4066	0.470	87	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	128.3079	0.754	17	128.4066	0.470	87	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	128.2106	0.526	50	128.4066	0.470	87	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	128.0275	0.712	2	128.4066	0.470	87	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,5|C<3>}	128.6308	0.506	6	128.4066	0.470	87	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	128.2650	0.000	1	128.4066	0.470	87	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3){1|B<4>,1|C<4>,4|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	127.7150	0.000	1	127.7150	0.000	1	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	127.4805	0.839	8	127.4805	0.703	8	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	129.0805	0.459	2	128.9210	0.283	10	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	128.8811	0.570	8	128.9210	0.283	10	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	129.1230	0.625	2	129.1272	0.274	226	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	129.4600	0.419	2	129.1272	0.274	226	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	129.1244	0.506	181	129.1272	0.274	226	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	129.2212	0.453	20	129.1272	0.274	226	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	129.1960	0.407	2	129.1272	0.274	226	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	129.9957	0.504	4	129.1272	0.274	226	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	128.7505	0.582	15	129.1272	0.274	226	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	129.1845	0.451	13	129.1845	0.203	13	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,2|F<1>,2|N<3>,3|C<3>}	129.6590	0.406	2	129.6590	0.165	2	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	129.5985	0.334	2	129.5985	0.112	2	128.9150	0.482	354	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	125.9885	1.064	2	125.2180	1.381	4	125.2180	1.381	4	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	124.4475	0.797	2	125.2180	1.381	4	125.2180	1.381	4	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	125.2520	0.000	1	125.2520	0.000	1	126.0684	0.667	12	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	126.2370	0.233	2	126.2370	0.054	2	126.0684	0.667	12	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	124.7320	0.160	2	124.7320	0.026	2	126.0684	0.667	12	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	126.1230	0.472	3	126.1230	0.223	3	126.0684	0.667	12	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	126.6425	0.078	2	126.6425	0.006	2	126.0684	0.667	12	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>}	126.7170	0.000	1	126.7170	0.000	1	126.0684	0.667	12	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|Se<2>,1|B<4>,1|C<4>,1|N<3>,2|F<1>}	127.2600	0.000	1	127.2600	0.000	1	126.0684	0.667	12	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	129.3895	0.552	2	129.3895	0.305	2	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	125.3003	0.103	4	125.3003	0.011	4	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	129.1610	0.014	2	129.1610	0.000	2	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	125.8960	0.000	1	125.9617	0.082	3	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	125.9945	0.397	2	125.9617	0.082	3	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	128.3720	0.000	1	128.3720	0.000	1	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	130.6795	0.312	2	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	130.8490	0.180	2	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	129.0210	0.593	2	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	128.4457	1.400	3	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	128.9080	0.000	1	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	129.0308	0.178	4	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	129.0157	0.187	4	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	127.4973	0.666	4	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	128.9540	0.701	3	128.9752	1.223	25	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	127.6430	0.023	2	127.6430	0.001	2	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	125.2464	0.605	11	125.5677	0.651	27	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	124.5070	0.000	1	125.5677	0.651	27	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	124.8325	0.197	2	125.5677	0.651	27	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	126.6580	0.000	1	125.5677	0.651	27	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	126.8300	0.000	1	125.5677	0.651	27	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	126.0951	0.711	9	125.5677	0.651	27	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	125.0515	0.182	2	125.5677	0.651	27	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Pt<4>,1|B<4>,1|C<3>,1|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	129.2860	0.095	2	129.2860	0.009	2	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	127.7270	0.174	2	127.7295	0.033	4	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	127.7320	0.263	2	127.7295	0.033	4	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	127.7855	0.568	10	127.7855	0.322	10	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	128.9130	0.000	1	128.9130	0.000	1	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	125.2400	0.000	1	125.2400	0.000	1	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	129.4765	0.069	2	129.4765	0.005	2	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.8843	0.223	4	125.8843	0.050	4	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	125.8820	0.671	6	125.8820	0.450	6	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	129.4175	0.026	2	129.4175	0.001	2	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.3585	0.253	4	125.3585	0.064	4	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	127.6130	0.000	1	127.6130	0.000	1	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	129.9465	0.329	2	129.5615	0.378	14	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	129.7100	0.386	4	129.5615	0.378	14	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	129.2570	0.675	7	129.5615	0.378	14	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	130.3290	0.000	1	129.5615	0.378	14	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	129.2340	0.573	10	129.2340	0.328	10	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	125.8077	0.173	3	125.7692	0.163	19	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	125.7552	0.467	14	125.7692	0.163	19	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	125.8095	0.176	2	125.7692	0.163	19	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	129.9840	1.045	2	129.9840	1.092	2	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	129.7890	0.000	1	129.7890	0.000	1	127.4315	3.358	149	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	130.8360	0.000	1	130.8360	0.000	1	130.8360	0.000	1	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C){1|C<4>,2|C<3>,2|O<1>}	131.3836	0.625	10	131.3836	0.391	10	131.3836	0.391	10	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3){1|H<1>,2|N<3>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	128.3650	0.000	1	128.3650	0.000	1	128.3650	0.000	1	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	128.2760	0.117	3	128.2760	0.014	3	128.2760	0.014	3	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<4>,5|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	127.7660	0.274	3	127.7660	0.075	3	127.7660	0.075	3	128.4148	2.227	561	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(CH3)	C(C[5a]C[5a,6]N[5,5a])(H)3	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6]N[5,5a])(H)3	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	131.6410	0.000	1	131.6410	0.000	1	131.6410	0.000	1	128.8589	5.395	12	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	128.9760	0.000	1	128.9760	0.000	1	131.5637	5.797	3	128.8589	5.395	12	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,1|C<3>,1|H<1>}	132.8575	1.245	2	132.8575	1.551	2	131.5637	5.797	3	128.8589	5.395	12	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.9490	0.530	3	127.9010	0.145	5	127.4969	0.461	8	128.8589	5.395	12	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	127.8290	0.044	2	127.9010	0.145	5	127.4969	0.461	8	128.8589	5.395	12	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	126.8980	0.658	2	126.8233	0.233	3	127.4969	0.461	8	128.8589	5.395	12	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.6740	0.000	1	126.8233	0.233	3	127.4969	0.461	8	128.8589	5.395	12	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	127.4700	0.000	1	127.3433	0.018	3	127.1900	0.978	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){2|C<4>,3|H<1>}	127.2040	0.000	1	127.3433	0.018	3	127.1900	0.978	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){2|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){2|C<4>,4|H<1>}	127.3560	0.000	1	127.3433	0.018	3	127.1900	0.978	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){3|C<4>,3|H<1>}	128.3200	0.000	1	128.3200	0.000	1	127.1900	0.978	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]Si)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]Si)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	125.6000	0.000	1	125.6000	0.000	1	127.1900	0.978	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	126.8870	0.320	2	126.8870	0.102	2	126.8870	0.102	2	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,3|C<3>,4|H<1>}	132.3410	0.035	2	132.3410	0.001	2	131.9434	0.496	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	131.6010	0.000	1	131.6010	0.000	1	131.9434	0.496	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	131.7170	1.202	2	131.7170	1.445	2	131.9434	0.496	5	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,3|C<3>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	129.8530	0.000	1	129.8530	0.000	1	128.4097	1.563	3	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	127.6750	0.000	1	127.6750	0.000	1	128.4097	1.563	3	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	127.7010	0.000	1	127.7010	0.000	1	128.4097	1.563	3	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<3>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	127.6920	0.356	4	127.6920	0.126	4	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,8|C<3>}	126.6540	0.000	1	126.6540	0.000	1	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	130.1160	0.093	2	130.1160	0.009	2	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){3|H<1>,5|C<3>}	127.4580	0.000	1	127.4580	0.000	1	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	127.7260	0.068	3	127.8618	0.077	4	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	128.2690	0.000	1	127.8618	0.077	4	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	127.7790	0.000	1	127.4070	0.104	3	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,4|C<3>}	127.2210	0.000	2	127.4070	0.104	3	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	126.4530	0.000	1	126.4530	0.000	1	127.8271	1.021	16	128.3840	3.478	31	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	131.2230	0.000	1	131.2230	0.000	1	131.9408	0.381	6	131.9040	0.244	9	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	131.9030	0.000	1	131.9030	0.000	1	131.9408	0.381	6	131.9040	0.244	9	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	131.2370	0.000	1	131.2370	0.000	1	131.9408	0.381	6	131.9040	0.244	9	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	132.4140	0.427	2	132.4140	0.182	2	131.9408	0.381	6	131.9040	0.244	9	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	132.4540	0.000	1	132.4540	0.000	1	131.9408	0.381	6	131.9040	0.244	9	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){2|H<1>,4|C<3>}	131.8303	0.109	3	131.8303	0.012	3	131.8303	0.012	3	131.9040	0.244	9	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO)	C(C[5a]C[5a,6]C[5a])(OC)(H)2	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO){1|C<3>,1|H<1>,3|C<4>}	C(C[5a]C[5a,6]C[5a])(OC)(H)2	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	126.9700	0.000	1	126.9700	0.000	1	126.9700	0.000	1	126.9700	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	129.3495	0.015	2	129.3495	0.000	2	129.3495	0.000	2	129.8727	3.328	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(COO)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,3|C<4>}	C(C[5a]C[5a,6]C[5a])(COO)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){3|C<4>,4|H<1>}	127.2480	0.000	1	127.2480	0.000	1	127.2480	0.000	1	129.8727	3.328	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCO)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCO)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	129.7150	0.000	1	129.7150	0.000	1	129.7150	0.000	1	129.8727	3.328	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]N[5a])(COO)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH){2|C<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(COO)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C){2|C<3>,3|C<4>,3|H<1>}	130.8260	0.000	1	130.8260	0.000	1	130.8260	0.000	1	129.8727	3.328	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH)	C(C[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C){1|O<1>,4|C<3>}	132.7480	0.000	1	132.7480	0.000	1	132.7480	0.000	1	129.8727	3.328	6	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH)	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH){1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	128.7930	0.000	1	128.7930	0.000	1	128.7930	0.000	1	128.7930	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6]N[5a])(COO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(COO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO){2|C<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	129.2090	0.000	1	129.2090	0.000	1	129.2090	0.000	1	129.2090	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-2:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6])	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]){1|C<3>,4|H<1>}	126.1870	0.000	1	126.1870	0.000	1	126.1870	0.000	1	126.1870	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH){1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){2|C<4>,4|H<1>}	127.3690	0.000	1	127.3690	0.000	1	127.3690	0.000	1	127.3690	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(CC[6a]HN)	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(CC[6a]HN){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	131.0920	0.000	1	131.0920	0.000	1	131.0920	0.000	1	131.0920	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:C-3:N-3:O-2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NCO)(OH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO){1|H<1>,3|C<3>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(COO)(NCO)(OH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	129.4710	0.000	1	129.4710	0.000	1	129.4710	0.000	1	129.4710	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,1|C<3>,1|N<2>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	124.0820	0.295	10	123.9057	0.420	11	123.9057	0.420	11	123.9057	0.420	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,1|C<3>,1|N<2>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|N<2>,1|O<2>,2|C<3>,2|N<3>}	122.1430	0.000	1	123.9057	0.420	11	123.9057	0.420	11	123.9057	0.420	11	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	127.6370	0.000	1	127.6370	0.000	1	127.7923	0.864	3	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	127.8700	1.301	2	127.8700	1.693	2	127.7923	0.864	3	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	130.1855	0.415	2	130.1855	0.172	2	129.5595	0.348	8	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	129.5090	0.774	2	129.3508	0.244	6	129.5595	0.348	8	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	129.2717	0.427	4	129.3508	0.244	6	129.5595	0.348	8	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|Ga<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	124.3975	0.460	2	124.3975	0.212	2	124.8624	1.403	39	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|N<3>,4|C<3>}	126.8183	0.239	6	126.8183	0.057	6	124.8624	1.403	39	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|In<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	124.7374	0.811	15	124.7374	0.657	15	124.8624	1.403	39	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|N<3>}	124.2007	1.176	8	124.3042	1.001	16	124.8624	1.403	39	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,3|N<3>}	124.4077	0.859	8	124.3042	1.001	16	124.8624	1.403	39	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,2|C<2>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	129.5953	0.574	3	129.1217	0.511	6	128.0640	3.415	9	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,1|C<2>,1|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	128.6480	0.525	3	129.1217	0.511	6	128.0640	3.415	9	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	126.6375	1.334	2	125.9487	2.314	3	128.0640	3.415	9	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,2|N<3>,3|C<3>}	124.5710	0.000	1	125.9487	2.314	3	128.0640	3.415	9	126.1367	4.888	59	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CCHH){2|H<1>,3|C<4>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	125.2030	0.000	1	125.2030	0.000	1	125.2030	0.000	1	127.2095	8.052	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	129.2160	0.000	1	129.2160	0.000	1	129.2160	0.000	1	127.2095	8.052	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CCHH){1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	132.5925	0.076	2	132.5925	0.006	2	132.5925	0.006	2	132.5925	0.006	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	124.7330	0.383	2	124.7330	0.147	2	124.7330	0.147	2	124.7330	0.147	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:4:3:	3:4:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)2(CCH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(CH3)2(CCH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	132.9430	0.000	1	132.9430	0.000	1	132.9430	0.000	1	132.9430	0.000	1	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:3:4:	3:4:4:4:	3:4:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,3|H<1>}	129.4535	0.397	2	129.4535	0.157	2	129.4535	0.157	2	129.4535	0.157	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6]	3:4:2:	3:3:3:1:	3:3:2:	C[5a,6]-3:C-4:S[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a])	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	127.2260	0.658	2	127.2260	0.432	2	127.2260	0.432	2	127.2260	0.432	2	128.3578	3.841	809	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	128.5700	0.000	1	128.5700	0.000	1	128.5700	0.000	1	129.1691	0.175	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]S[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a,6a]S[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]S[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,6a]S[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C){1|C<3>,1|C<4>,1|S<2>}	129.2119	0.399	14	129.2119	0.159	14	129.2119	0.159	14	129.1691	0.175	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){3|C<3>}	128.1685	0.165	2	128.1685	0.027	2	128.1685	0.027	2	128.1685	0.027	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.3705	0.767	2	128.3705	0.589	2	128.7010	0.622	3	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	129.3620	0.000	1	129.3620	0.000	1	128.7010	0.622	3	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	129.3030	0.000	1	129.3030	0.000	1	128.4886	1.060	11	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|B<4>,1|F<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|B<4>,1|C<3>,2|F<1>}	128.1797	1.104	6	128.4090	1.383	7	128.4886	1.060	11	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	129.7850	0.000	1	128.4090	1.383	7	128.4886	1.060	11	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	128.6540	0.000	1	128.6540	0.000	1	128.4886	1.060	11	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	128.2775	1.214	2	128.2775	1.474	2	128.4886	1.060	11	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	129.0680	0.000	1	128.7950	0.149	2	128.7950	0.149	2	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	128.5220	0.000	1	128.7950	0.149	2	128.7950	0.149	2	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|N<3>,4|C<3>}	130.6850	0.000	1	130.6850	0.000	1	130.6850	0.000	1	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.9150	0.000	1	124.9150	0.000	1	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|H<1>,2|C<3>}	128.0570	0.000	1	128.0570	0.000	1	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.1320	0.000	1	127.0932	0.912	5	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	125.5360	0.000	1	127.0932	0.912	5	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	127.1705	0.032	2	127.0932	0.912	5	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	127.4570	0.000	1	127.0932	0.912	5	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|F<1>,1|H<1>,3|C<3>}	130.1370	0.648	3	129.9883	0.276	21	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	129.9265	0.559	6	129.9883	0.276	21	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	129.6760	0.041	2	129.9883	0.276	21	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	130.0288	0.590	9	129.9883	0.276	21	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,4|C<3>}	130.1740	0.000	1	129.9883	0.276	21	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	129.9700	0.000	1	130.2323	0.067	3	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	130.3635	0.177	2	130.2323	0.067	3	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	128.4605	0.381	2	128.2312	0.216	8	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	128.3790	0.000	1	128.2312	0.216	8	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>}	127.6510	0.000	1	128.2312	0.216	8	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>}	127.6680	0.000	1	128.2312	0.216	8	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	128.6770	0.000	1	128.2312	0.216	8	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	128.2770	0.619	2	128.2312	0.216	8	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	128.9890	0.283	2	128.9890	0.080	2	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	128.1905	0.073	2	128.1627	0.005	3	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	128.1070	0.000	1	128.1627	0.005	3	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	128.5650	0.000	1	128.5650	0.000	1	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>}	128.6960	0.000	1	128.6960	0.000	1	129.0102	1.752	46	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C){5|C<3>}	132.0460	0.000	1	132.0460	0.000	1	131.3925	0.854	2	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C){2|C<3>,2|C<4>,2|H<1>}	130.7390	0.000	1	130.7390	0.000	1	131.3925	0.854	2	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|S<4>,4|C<3>}	129.2810	0.000	1	129.8407	0.244	3	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	130.1205	0.135	2	129.8407	0.244	3	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	128.9720	0.525	2	128.9720	0.275	2	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	128.9440	0.298	2	128.9910	0.206	7	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	129.0098	0.533	5	128.9910	0.206	7	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){1|O<2>,2|C<3>}	127.7900	0.000	1	127.5045	0.163	2	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	127.2190	0.000	1	127.5045	0.163	2	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C){1|C<4>,2|C<3>}	130.3080	0.624	2	130.3080	0.389	2	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|S<2>,3|C<3>}	129.0270	0.000	2	129.0270	0.000	2	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	129.9998	0.519	5	130.3484	0.303	16	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	130.5069	0.509	11	130.3484	0.303	16	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){1|C<4>,2|C<3>}	128.5990	0.000	1	127.9700	0.541	7	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	127.8652	0.746	6	127.9700	0.541	7	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	129.4850	0.000	1	129.8950	0.142	3	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	130.1000	0.181	2	129.8950	0.142	3	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){3|C<3>}	128.0200	0.000	1	128.0200	0.000	1	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C){3|C<3>}	127.8880	0.000	1	127.8880	0.000	1	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){4|C<3>}	130.2760	0.000	2	130.2760	0.000	2	129.4082	1.213	48	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	133.9990	1.420	2	131.1138	5.485	6	131.1138	5.485	6	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	129.6407	0.461	3	131.1138	5.485	6	131.1138	5.485	6	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	129.7630	0.000	1	131.1138	5.485	6	131.1138	5.485	6	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	128.8100	0.717	2	128.9673	0.331	3	128.9673	0.331	3	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	129.2820	0.000	1	128.9673	0.331	3	128.9673	0.331	3	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a,6a]S[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a,6a]S[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C){1|S<2>,2|C<4>,3|C<3>}	131.2284	0.804	12	131.2284	0.647	12	131.2284	0.647	12	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a,6a]S[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,1|O<1>,2|N<3>}	C(C[5a]C[5a,6a]S[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	129.2585	0.200	2	129.2585	0.040	2	129.2585	0.040	2	129.4371	2.000	136	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	127.1000	0.000	1	127.1000	0.000	1	127.1000	0.000	1	127.0964	4.093	5	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	126.3150	0.635	2	126.3150	0.403	2	126.3150	0.403	2	127.0964	4.093	5	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	130.4770	0.000	1	130.4770	0.000	1	130.4770	0.000	1	127.0964	4.093	5	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCHH)	C(C[5a]C[5a,6a]S[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]S[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	125.2750	0.000	1	125.2750	0.000	1	125.2750	0.000	1	127.0964	4.093	5	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	126.2130	0.000	1	126.2130	0.000	1	126.2130	0.000	1	126.2130	0.000	1	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	129.0320	0.550	2	129.0320	0.303	2	129.0320	0.303	2	129.0320	0.303	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	129.3840	0.446	4	129.3840	0.199	4	129.3105	0.138	6	128.9917	1.412	12	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	C(C[5a]C[5a,6a]N[5a])(CF3)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CF3)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	129.1635	0.172	2	129.1635	0.030	2	129.3105	0.138	6	128.9917	1.412	12	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	128.9917	1.412	12	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	131.8490	0.000	1	131.8490	0.000	1	131.8490	0.000	1	128.9917	1.412	12	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CHHS)	C(C[5a]C[5a,6a]N[5a])(SNOO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CHHS){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(SNOO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	128.3420	0.894	2	128.3420	0.799	2	128.3420	0.799	2	128.9917	1.412	12	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CCHH){1|C<4>,3|C<3>}	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	128.0940	0.049	2	128.0940	0.002	2	128.0940	0.002	2	128.9917	1.412	12	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH)	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C){1|N<3>,1|O<1>}	135.8950	0.000	1	135.8950	0.000	1	135.8950	0.000	1	133.9270	7.746	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]C[5a])(CCCH)	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]C[5a])(CCCH){1|C<4>,3|C<3>}	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C){2|C<3>,2|F<1>,3|C<4>}	131.9590	0.000	1	131.9590	0.000	1	131.9590	0.000	1	133.9270	7.746	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	133.2780	0.000	1	133.2780	0.000	1	132.0785	2.878	2	132.4660	1.745	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	130.8790	0.000	1	130.8790	0.000	1	132.0785	2.878	2	132.4660	1.745	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	133.1387	0.088	3	133.1387	0.008	3	132.6210	2.731	5	132.4660	1.745	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	133.9540	0.000	1	133.9540	0.000	1	132.6210	2.731	5	132.4660	1.745	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	129.7350	0.000	1	129.7350	0.000	1	132.6210	2.731	5	132.4660	1.745	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|N<2>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,3|C<3>}	132.7040	0.000	1	132.7040	0.000	1	132.4660	0.740	3	132.4660	1.745	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	132.3470	1.181	2	132.3470	1.394	2	132.4660	0.740	3	132.4660	1.745	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.1110	0.000	1	126.1110	0.000	1	124.1945	1.720	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.7495	0.196	2	123.5557	0.132	3	124.1945	1.720	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1680	0.000	1	123.5557	0.132	3	124.1945	1.720	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	125.5410	0.000	1	125.5410	0.000	1	126.2457	0.357	12	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.7070	0.233	2	125.7070	0.054	2	126.2457	0.357	12	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){1|N<3>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.1690	0.000	1	126.4437	0.305	9	126.2457	0.357	12	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.6850	0.349	2	126.4437	0.305	9	126.2457	0.357	12	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.4090	0.651	6	126.4437	0.305	9	126.2457	0.357	12	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3)	C(C[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3){1|B<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	127.5250	0.000	1	127.5250	0.000	1	127.5250	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3){1|H<1>,2|N<3>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.6360	0.000	1	125.6360	0.000	1	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.4717	0.145	3	124.7558	0.555	6	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,3|C<3>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.9190	0.000	1	124.7558	0.555	6	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.0270	0.000	1	124.7558	0.555	6	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.1740	0.000	1	124.7558	0.555	6	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<3>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	125.4620	0.338	4	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.4045	0.230	2	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	126.6845	0.373	2	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.1905	0.384	2	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.0790	0.000	1	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.6290	0.000	1	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.6100	0.000	1	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.9833	0.441	3	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.5210	0.000	2	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.9480	0.287	3	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.2943	1.496	3	125.5185	0.940	24	125.3747	0.908	31	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<4>,5|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C){1|B<4>,2|H<1>,4|C<3>}	125.6190	0.228	3	125.6190	0.052	3	125.6190	0.052	3	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.6183	1.065	3	124.2912	3.891	6	124.8517	3.738	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.9640	0.447	3	124.2912	3.891	6	124.8517	3.738	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.8265	0.648	2	126.8265	0.420	2	124.8517	3.738	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.2650	0.000	1	124.2650	0.000	1	124.8517	3.738	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	127.2295	0.378	2	127.2295	0.143	2	127.2295	0.143	2	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	128.7350	0.000	1	128.7350	0.000	1	128.7350	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|I<1>,6|C<3>}	130.1345	0.593	2	130.5387	0.666	3	128.8888	3.618	6	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|S<4>,6|C<3>}	131.3470	0.000	1	130.5387	0.666	3	128.8888	3.618	6	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]2)(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	127.2390	0.461	3	127.2390	0.213	3	128.8888	3.618	6	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:Br-1:Br-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H)	C(C[5a]C[5a,6a]C[5a])(Br)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(Br)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	127.2330	0.000	1	127.2330	0.000	1	127.2330	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH)	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|S<4>,2|H<1>}	127.4010	0.000	1	127.4010	0.000	1	125.7560	5.412	2	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH)	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	124.1110	0.000	1	124.1110	0.000	1	125.7560	5.412	2	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a,6a]C[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	125.0040	0.000	1	125.0040	0.000	1	125.0040	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.1430	0.031	2	124.1430	0.001	2	124.1430	0.001	2	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3){1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>}	127.2360	0.000	1	127.8280	0.701	2	126.1390	2.914	5	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	128.4200	0.000	1	127.8280	0.701	2	126.1390	2.914	5	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C[5])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,4|C<3>}	125.0130	0.850	3	125.0130	0.723	3	126.1390	2.914	5	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.6890	0.000	1	125.3333	0.393	3	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.6555	0.405	2	125.3333	0.393	3	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	124.3050	0.346	2	124.3050	0.120	2	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	126.1885	0.313	2	126.1885	0.098	2	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.7451	0.388	12	125.4443	0.375	20	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.1050	0.000	1	125.4443	0.375	20	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|S<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	124.9570	0.000	1	125.4443	0.375	20	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.6617	0.535	4	125.4443	0.375	20	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.6180	0.812	2	125.4443	0.375	20	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	126.5370	1.790	2	126.5370	3.206	2	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	127.5125	0.381	2	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.5606	1.064	7	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.1778	0.791	6	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	124.8620	0.000	1	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.8197	1.540	3	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	123.8496	0.789	8	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	124.4292	0.436	5	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.6780	0.000	1	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	125.5310	0.000	1	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.4697	0.636	6	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.8560	0.000	1	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.8795	0.920	14	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.0350	0.218	2	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	123.8970	0.000	1	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.7970	1.478	2	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.4900	0.000	1	124.9759	1.593	61	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	127.0690	0.000	1	126.2750	0.222	5	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Ir<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	125.9480	0.182	2	126.2750	0.222	5	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Rh<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	126.2050	0.037	2	126.2750	0.222	5	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|N<2>,3|H<1>}	126.2130	0.000	1	126.2130	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<4>,2|C<3>}	128.8420	0.000	1	128.8420	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,2|C<4>}	126.0400	0.000	1	126.0400	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.6310	0.000	1	124.0350	3.421	4	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.7250	0.000	1	124.0350	3.421	4	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.3710	0.000	1	124.0350	3.421	4	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){2|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.4130	0.000	1	124.0350	3.421	4	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.9250	0.092	2	124.7154	1.513	5	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.5950	0.000	1	124.7154	1.513	5	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.6390	0.000	1	124.7154	1.513	5	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.4930	0.000	1	124.7154	1.513	5	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	126.1210	0.000	1	125.7759	0.437	15	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.9925	0.978	2	125.7759	0.437	15	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	124.3030	0.000	1	125.7759	0.437	15	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	124.7940	0.000	1	125.7759	0.437	15	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.9580	0.000	2	125.7759	0.437	15	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.9399	0.467	8	125.7759	0.437	15	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>,2|H<1>}	127.1290	0.000	1	127.1290	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Mn)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Mn)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Mn<6>,2|C<3>,2|H<1>}	123.4220	0.000	1	123.4220	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.9180	0.000	1	125.9180	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.0970	0.000	1	126.4843	0.135	3	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	126.6780	0.212	2	126.4843	0.135	3	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	122.1160	0.000	1	124.1471	0.846	34	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	123.7448	0.425	21	124.1471	0.846	34	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,3|H<1>}	124.9937	0.528	6	124.1471	0.846	34	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	125.0472	1.114	6	124.1471	0.846	34	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	124.9430	0.000	1	124.9430	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	126.5460	0.000	1	126.5460	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	126.1775	1.156	4	125.8430	0.982	9	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	125.5754	0.872	5	125.8430	0.982	9	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	128.6500	0.000	1	128.6500	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>}	127.8950	0.000	1	127.8950	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>}	124.1540	0.000	1	124.1103	0.003	3	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	124.1260	0.000	1	124.1103	0.003	3	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){3|C<3>}	124.0510	0.000	1	124.1103	0.003	3	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.7440	0.000	1	121.7440	0.000	1	125.1001	1.677	179	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	125.1610	0.000	1	125.1610	0.000	1	127.5168	7.006	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|S<4>,2|C<3>,2|H<1>}	125.2890	0.000	1	125.2890	0.000	1	127.5168	7.006	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	129.8230	0.000	1	129.8230	0.000	1	127.5168	7.006	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	129.7940	0.000	1	129.7940	0.000	1	127.5168	7.006	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3){1|C<3>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	124.7323	0.284	3	124.7323	0.080	3	124.7323	0.080	3	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7200	0.000	1	123.7197	3.104	3	124.2582	1.682	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.0440	0.000	1	123.7197	3.104	3	124.2582	1.682	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.3950	0.000	1	123.7197	3.104	3	124.2582	1.682	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.0247	0.933	4	124.0247	0.871	4	124.2582	1.682	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.9170	0.000	1	125.9170	0.000	1	124.2582	1.682	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	125.1490	0.000	1	125.1490	0.000	1	124.2582	1.682	9	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	129.1050	0.000	1	129.1050	0.000	1	129.1050	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	129.5610	0.000	1	129.5610	0.000	1	129.5610	0.000	1	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|O<1>,1|O<2>,4|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|I<1>,3|C<3>}	129.8780	0.000	1	129.8780	0.000	1	131.1325	1.500	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	130.3000	0.000	1	130.3000	0.000	1	131.1325	1.500	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	132.1760	0.233	2	132.1760	0.054	2	131.1325	1.500	4	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	118.6700	0.150	2	118.6700	0.022	2	119.1203	0.620	3	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	120.0210	0.000	1	120.0210	0.000	1	119.1203	0.620	3	125.3493	3.140	286	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO)	C(C[5a]C[5a,6a]2)(OC)(H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]2)(OC)(H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.0210	0.000	1	126.0210	0.000	1	126.0210	0.000	1	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO)	C(C[5a]C[5a,6a]2)(OC)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]2)(OC)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>}	126.3920	0.000	1	126.3920	0.000	1	126.3920	0.000	1	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	126.1210	0.000	1	126.3247	0.251	4	126.6750	0.802	5	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.9860	0.000	1	126.3247	0.251	4	126.6750	0.802	5	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	126.3880	0.000	1	126.3247	0.251	4	126.6750	0.802	5	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.8040	0.000	1	126.3247	0.251	4	126.6750	0.802	5	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	128.0760	0.000	1	128.0760	0.000	1	126.6750	0.802	5	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	129.7670	0.000	1	129.7670	0.000	1	128.4913	1.508	3	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,4|H<1>}	127.8535	0.759	2	127.8535	0.576	2	128.4913	1.508	3	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S){1|C<3>,4|H<1>}	123.6740	0.655	2	123.6740	0.429	2	123.6740	0.429	2	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.6550	0.000	1	125.6550	0.000	1	125.3183	2.620	7	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO)	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	123.6230	0.000	2	123.6230	0.000	2	125.3183	2.620	7	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	123.9250	0.000	1	123.9250	0.000	1	125.3183	2.620	7	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.8007	0.813	3	126.8007	0.661	3	125.3183	2.620	7	126.0967	3.184	19	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.8555	0.042	2	123.8555	0.002	2	123.8555	0.002	2	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH)	C(C[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.1750	0.000	1	121.1750	0.000	1	121.1750	0.000	1	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	129.7975	1.078	2	129.7975	1.163	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	131.0126	0.686	7	130.3644	1.466	13	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	130.8210	0.000	1	130.3644	1.466	13	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	129.1885	1.414	4	130.3644	1.466	13	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.0740	0.000	1	130.3644	1.466	13	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|N<3>,1|O<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	126.5200	0.000	1	126.5200	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>}	124.1960	0.000	1	124.1960	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	128.1350	0.000	1	128.0160	0.028	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.8970	0.000	1	128.0160	0.028	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	123.0170	0.000	1	123.0170	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.8780	0.755	3	125.8780	0.570	3	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.2620	0.000	1	121.2620	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	125.8650	0.000	1	125.1196	1.207	18	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.9501	1.128	15	125.1196	1.207	18	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	126.2430	0.000	1	125.1196	1.207	18	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.7920	0.000	1	125.1196	1.207	18	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	120.9660	0.000	1	120.9660	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.2510	0.744	2	123.2510	0.553	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.8840	0.000	1	122.0775	1.301	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.2710	0.000	1	122.0775	1.301	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	124.5590	0.000	1	125.7885	3.023	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	127.0180	0.000	1	125.7885	3.023	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCI)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCI)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.0530	0.000	1	127.0530	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.8880	0.000	1	126.7180	0.118	3	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.6330	0.438	2	126.7180	0.118	3	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	125.9340	0.000	1	125.9340	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.9100	0.000	1	126.9100	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	128.4390	0.000	2	128.4390	0.000	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	123.6100	0.000	1	126.4275	1.902	11	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.7092	1.069	10	126.4275	1.902	11	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	127.4270	1.939	2	128.8223	7.721	3	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	131.6130	0.000	1	128.8223	7.721	3	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){1|C<3>,4|H<1>}	127.7550	0.000	1	127.7550	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.3140	0.000	1	127.4983	1.055	9	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	128.3350	0.000	1	127.4983	1.055	9	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.5480	1.026	7	127.4983	1.055	9	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,1|O<2>,3|H<1>}	129.1020	0.000	1	129.1020	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	126.9985	0.380	2	126.9985	0.144	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	127.0840	0.000	1	125.8930	2.837	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	124.7020	0.000	1	125.8930	2.837	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(CCHH){1|H<1>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	126.0405	0.678	2	126.0405	0.460	2	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,3|H<1>}	130.3140	0.000	1	130.3140	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.9980	0.112	2	124.4036	2.298	5	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	126.8930	0.000	1	124.4036	2.298	5	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	123.5645	1.115	2	124.4036	2.298	5	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.9730	0.000	1	120.9730	0.000	1	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	124.6570	0.653	4	124.6570	0.427	4	126.5311	6.319	99	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	128.7145	0.193	2	128.7145	0.037	2	128.7145	0.037	2	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.6860	0.000	1	124.6860	0.000	1	124.6860	0.000	1	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	126.2845	0.405	2	125.8736	0.309	9	125.9502	0.315	16	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.9836	0.424	5	125.8736	0.309	9	125.9502	0.315	16	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	125.1875	0.496	2	125.8736	0.309	9	125.9502	0.315	16	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.4210	0.000	1	125.4210	0.000	1	125.9502	0.315	16	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.1390	0.477	2	126.0368	0.317	5	125.9502	0.315	16	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.9687	0.709	3	126.0368	0.317	5	125.9502	0.315	16	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	126.7360	0.000	1	126.7360	0.000	1	125.9502	0.315	16	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.2130	0.000	1	125.2130	0.000	1	125.2130	0.000	1	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	129.4500	0.000	1	129.4500	0.000	1	129.4500	0.000	1	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.5560	0.000	1	126.5560	0.000	1	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|N<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	125.2130	1.491	2	125.2130	2.222	2	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.2170	0.000	1	123.2170	0.000	1	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	124.9094	1.082	5	124.9695	1.678	8	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	122.9560	0.000	1	124.9695	1.678	8	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.1265	0.558	2	124.9695	1.678	8	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|N<3>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|S<4>,2|C<3>,2|H<1>}	129.6775	0.095	2	129.6775	0.009	2	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	129.2410	0.000	1	129.2410	0.000	1	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.8008	0.623	5	126.5390	0.722	6	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.2300	0.000	1	126.5390	0.722	6	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,4|H<1>}	132.3780	0.000	1	132.3780	0.000	1	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	126.2000	0.000	1	126.2000	0.000	1	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	121.7450	0.000	1	121.7450	0.000	1	126.1712	5.774	24	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|H<1>,3|C<3>}	124.6600	0.000	1	124.6600	0.000	1	124.6600	0.000	1	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.4570	0.000	1	125.7345	1.044	2	125.7345	1.044	2	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.0120	0.000	1	125.7345	1.044	2	125.7345	1.044	2	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCS)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NCS)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.8750	0.000	1	125.8750	0.000	1	126.4765	0.429	6	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.3795	0.506	4	126.3795	0.256	4	126.4765	0.429	6	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.4660	0.000	1	127.4660	0.000	1	126.4765	0.429	6	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	127.0630	0.320	2	127.2767	0.188	3	127.2767	0.188	3	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.7040	0.000	1	127.2767	0.188	3	127.2767	0.188	3	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]N[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	129.3700	0.000	1	129.3700	0.000	1	129.2390	0.034	2	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]N[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	129.1080	0.000	1	129.1080	0.000	1	129.2390	0.034	2	126.3722	5.454	162	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.9030	0.000	1	122.9030	0.000	1	125.4095	12.565	2	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	127.9160	0.000	1	127.9160	0.000	1	125.4095	12.565	2	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.3200	0.000	1	127.3200	0.000	1	127.3200	0.000	1	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	125.0230	0.000	1	125.0230	0.000	1	125.5930	0.256	3	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	125.7660	0.000	1	125.7660	0.000	1	125.5930	0.256	3	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.9900	0.000	1	125.9900	0.000	1	125.5930	0.256	3	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	132.0130	0.000	1	132.0130	0.000	1	132.0130	0.000	1	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CCHO)	C(C[5a]C[5a,6a]N[5a])(COO)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CCHO){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(COO)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	131.3020	0.000	1	131.3020	0.000	1	131.3020	0.000	1	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO){1|C<4>,5|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	134.3260	0.423	2	134.3260	0.179	2	134.3260	0.179	2	128.6885	16.314	10	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H)	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	122.7695	0.681	2	122.7695	0.464	2	122.7695	0.464	2	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:B[5]-3:B[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H)	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.4000	0.000	1	126.4000	0.000	1	127.4010	2.004	2	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCCH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	128.4020	0.000	1	128.4020	0.000	1	127.4010	2.004	2	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	129.0610	0.000	1	129.0610	0.000	1	129.0610	0.000	1	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.9930	0.000	1	127.9930	0.000	1	127.5160	0.455	2	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(COO)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	127.0390	0.000	1	127.0390	0.000	1	127.5160	0.455	2	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.2810	0.000	1	126.2810	0.000	1	126.1301	1.119	7	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.8710	0.828	4	125.8710	0.685	4	126.1301	1.119	7	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.5730	1.994	2	126.5730	3.976	2	126.1301	1.119	7	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	124.7240	0.000	1	124.7240	0.000	1	126.4585	1.981	4	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])3(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])3(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.0367	0.983	3	127.0367	0.966	3	126.4585	1.981	4	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.0645	0.661	2	124.0645	0.437	2	124.0033	0.230	3	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H){1|N<2>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	123.8810	0.000	1	123.8810	0.000	1	124.0033	0.230	3	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	127.0060	0.000	1	127.0060	0.000	1	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.9565	0.694	2	122.9565	0.481	2	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	126.3980	0.754	2	126.3980	0.568	2	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	124.3190	0.000	1	124.3190	0.000	1	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.8130	0.000	1	122.8130	0.000	1	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	126.0190	0.647	4	126.0190	0.418	4	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<3>,3|H<1>}	130.3760	0.000	1	127.9600	4.789	3	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	126.7520	0.907	2	127.9600	4.789	3	125.7716	4.270	14	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.8985	0.183	2	123.8985	0.034	2	123.8985	0.034	2	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	126.4960	0.000	1	126.4960	0.000	1	125.8420	0.471	3	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.1280	0.000	1	125.1280	0.000	1	125.8420	0.471	3	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	125.9020	0.000	1	125.9020	0.000	1	125.8420	0.471	3	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.4980	0.000	1	124.4980	0.000	1	125.4406	0.401	5	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.1080	0.000	1	125.1080	0.000	1	125.4406	0.401	5	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	126.0540	0.000	1	126.0540	0.000	1	125.4406	0.401	5	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.7715	0.093	2	125.7715	0.009	2	125.4406	0.401	5	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN)	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	123.5110	0.000	1	123.5110	0.000	1	123.5110	0.000	1	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH)	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,5|H<1>}	129.0965	0.144	2	129.0965	0.021	2	129.0965	0.021	2	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CCHN)	C(C[5a]C[5a,6a]N[5a])(CNO)(NCC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CCHN){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CNO)(NCC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	133.0470	0.000	1	133.0470	0.000	1	133.0470	0.000	1	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	126.0650	0.000	1	126.0650	0.000	1	126.0650	0.000	1	125.9624	4.238	52	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:C-3:N-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NCO)(OH)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO){1|H<1>,3|C<3>,3|C<4>}	C(C[5a]C[5a,6a]C[5a,6])(COO)(NCO)(OH)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.4730	0.000	1	122.4730	0.000	1	122.4730	0.000	1	123.6197	2.758	3	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.5240	0.000	1	125.5240	0.000	1	125.5240	0.000	1	123.6197	2.758	3	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	123.6197	2.758	3	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.2400	0.000	1	125.2400	0.000	1	125.2400	0.000	1	126.4040	2.710	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.5680	0.000	1	127.5680	0.000	1	127.5680	0.000	1	126.4040	2.710	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH)	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.6215	1.183	2	126.6215	1.399	2	126.6215	1.399	2	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH)	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	126.2260	1.278	2	126.2260	1.634	2	126.2260	1.634	2	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	128.3625	0.240	2	128.3625	0.057	2	128.3625	0.057	2	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.4935	0.947	2	125.4935	0.896	2	125.2208	0.927	5	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.7900	0.000	1	123.7900	0.000	1	125.2208	0.927	5	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	125.9980	0.000	1	125.9980	0.000	1	125.2208	0.927	5	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	125.3290	0.000	1	125.3290	0.000	1	125.2208	0.927	5	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	125.8630	0.000	1	125.8630	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	130.7120	0.000	1	131.4650	1.210	4	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	130.3360	0.000	1	131.4650	1.210	4	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	132.4060	0.130	2	131.4650	1.210	4	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	129.4970	0.000	1	129.4970	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	127.6530	0.000	1	127.6530	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	126.7340	0.000	1	126.7340	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.7410	0.000	1	125.7410	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.1190	0.000	1	127.4585	0.231	2	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	127.7980	0.000	1	127.4585	0.231	2	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	124.1100	1.502	2	124.1100	2.256	2	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|Si<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|H<1>}	124.6670	0.000	1	124.8470	0.065	2	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	125.0270	0.000	1	124.8470	0.065	2	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	125.0790	2.199	2	124.1213	3.273	4	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	123.1635	1.146	2	124.1213	3.273	4	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	128.5390	0.000	1	128.5390	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.6780	0.000	1	125.6780	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.8455	0.687	2	124.7978	1.967	5	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.9340	0.000	1	124.7978	1.967	5	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.1820	2.520	2	124.7978	1.967	5	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.1900	0.000	1	124.1900	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	126.3570	0.000	1	126.3570	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	126.7640	0.000	1	126.7640	0.000	1	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	127.9795	1.415	2	127.9795	2.002	2	126.5206	6.876	31	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	126.4130	0.000	1	126.4130	0.000	1	126.4130	0.000	1	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH)	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	122.9950	0.184	2	122.9950	0.034	2	122.9950	0.034	2	126.2904	5.705	45	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.1500	0.000	1	126.1500	0.000	1	126.1500	0.000	1	125.6357	1.587	3	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.5570	0.000	1	126.5570	0.000	1	126.5570	0.000	1	125.6357	1.587	3	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	124.2000	0.000	1	124.2000	0.000	1	124.2000	0.000	1	125.6357	1.587	3	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.9420	0.000	1	125.9420	0.000	1	126.2895	4.234	4	126.2601	2.339	7	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	123.5680	0.000	1	126.4053	6.271	3	126.2895	4.234	4	126.2601	2.339	7	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.8240	0.683	2	126.4053	6.271	3	126.2895	4.234	4	126.2601	2.339	7	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.3020	0.000	1	125.3020	0.000	1	126.2210	0.661	3	126.2601	2.339	7	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.6805	0.235	2	126.6805	0.055	2	126.2210	0.661	3	126.2601	2.339	7	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	126.5160	0.000	1	125.9567	0.792	6	125.9567	0.792	6	125.6578	1.185	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.3950	0.533	2	125.9567	0.792	6	125.9567	0.792	6	125.6578	1.185	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.4780	1.071	3	125.9567	0.792	6	125.9567	0.792	6	125.6578	1.185	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.4410	0.182	2	126.4410	0.033	2	125.4586	1.466	9	125.6578	1.185	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	125.1318	1.351	6	125.1318	1.825	6	125.4586	1.466	9	125.6578	1.185	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.4540	0.000	1	125.4540	0.000	1	125.4586	1.466	9	125.6578	1.185	15	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a,6a]C[5a,6a]C[6a])(CCHH)	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	131.7700	0.000	1	131.7700	0.000	1	131.7700	0.000	1	131.7700	0.000	1	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.2490	0.000	1	126.2490	0.000	1	126.8400	4.090	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.1790	0.000	1	125.1790	0.000	1	126.8400	4.090	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	129.0920	0.000	1	129.0920	0.000	1	126.8400	4.090	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.2090	0.540	2	124.2090	0.292	2	124.2090	0.292	2	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	128.6205	0.230	2	128.6205	0.053	2	128.6205	0.053	2	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF)	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.3820	0.000	1	125.3820	0.000	1	125.3497	0.033	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF)	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.3335	0.255	2	125.3335	0.065	2	125.3497	0.033	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.3360	0.000	1	123.3360	0.000	1	123.3360	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	125.2310	0.000	1	125.2310	0.000	1	125.2310	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.5550	0.054	2	126.5550	0.003	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.3530	0.000	1	126.3160	0.549	3	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	126.2975	1.047	2	126.3160	0.549	3	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.9800	0.000	1	124.9506	4.858	19	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.8912	1.833	5	124.9506	4.858	19	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.1785	2.633	2	124.9506	4.858	19	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.0155	0.641	2	124.9506	4.858	19	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.3820	0.000	1	124.9506	4.858	19	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.4042	2.127	5	124.9506	4.858	19	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.9447	2.981	3	124.9506	4.858	19	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	123.7530	0.000	1	124.5930	1.411	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	125.4330	0.000	1	124.5930	1.411	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.0460	0.712	6	124.0460	0.507	6	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.6560	0.000	1	124.6560	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.4550	0.000	1	125.4550	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	123.7420	0.000	1	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.0470	0.000	1	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	125.6950	0.000	1	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	127.5080	0.629	2	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	126.1567	0.847	3	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.5820	0.706	2	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.2915	0.896	2	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	126.8793	0.477	3	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	122.6670	0.000	1	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	127.2820	0.000	1	125.6061	2.783	17	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.2340	0.000	1	124.3678	2.426	5	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.4013	1.796	4	124.3678	2.426	5	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	126.1010	0.000	1	126.1010	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	126.0360	1.563	2	126.0360	2.442	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.8740	0.000	1	125.8740	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	127.6260	0.000	1	125.8201	3.081	9	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	126.0025	0.276	2	125.8201	3.081	9	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.6460	0.000	1	125.8201	3.081	9	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6370	0.000	1	125.8201	3.081	9	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.8667	1.864	4	125.8201	3.081	9	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.0260	0.000	1	126.0260	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	127.4570	0.000	1	125.0657	4.554	3	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.8700	0.728	2	125.0657	4.554	3	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.3743	0.867	3	126.3743	0.751	3	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.2175	0.448	2	126.2175	0.200	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.7805	0.016	2	124.2630	3.208	6	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.0270	0.000	1	124.2630	3.208	6	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.4980	0.000	1	124.2630	3.208	6	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.2460	0.085	2	124.2630	3.208	6	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.1090	0.000	1	124.0385	8.574	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.9680	0.000	1	124.0385	8.574	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	127.3170	0.000	1	124.9660	11.054	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.6150	0.000	1	124.9660	11.054	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.1760	0.000	1	125.5240	0.242	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.8720	0.000	1	125.5240	0.242	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.5220	0.000	1	124.5220	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.7790	0.000	1	125.7862	0.460	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.4540	0.000	1	125.7862	0.460	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.0095	0.478	6	125.7862	0.460	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.6550	0.000	1	125.6550	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	126.8150	0.000	1	126.8150	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.6500	0.000	1	127.6500	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.4190	0.000	1	125.7266	0.984	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	125.1090	0.000	1	125.7266	0.984	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	126.9680	0.000	1	125.7266	0.984	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	126.7180	0.583	2	125.7266	0.984	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.2937	0.440	3	125.7266	0.984	8	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|O<2>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	125.4080	0.000	1	125.4080	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|S<2>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	128.9760	0.000	1	128.9760	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	129.6673	0.843	3	129.6673	0.710	3	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.4720	1.401	2	126.6795	1.655	83	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	127.2420	0.298	2	126.6795	1.655	83	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	126.1200	0.743	4	126.6795	1.655	83	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.6732	1.320	75	126.6795	1.655	83	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.8020	0.000	1	126.8020	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.9380	0.723	2	126.9380	0.522	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.0360	0.431	2	127.0360	0.186	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCoOO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCoOO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.3170	0.000	1	127.3170	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	128.2700	0.000	1	128.2700	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.9870	0.000	1	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.7130	0.341	2	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	123.3170	0.000	1	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	124.3730	0.000	1	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.7060	0.465	2	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	126.4890	0.000	1	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.6077	1.034	11	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	126.2027	0.728	15	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.6558	0.996	35	126.1693	1.314	69	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	127.3658	1.429	6	127.3658	2.041	6	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.5810	0.000	1	126.5810	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.7330	0.000	1	126.7330	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.6360	0.000	1	126.6360	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	126.0880	0.000	1	126.2902	0.373	5	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.3407	0.693	4	126.2902	0.373	5	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.5445	1.118	2	127.5445	1.250	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	126.4970	0.000	1	126.4970	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.0730	0.000	1	127.0730	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNiOO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CNiOO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.2680	0.000	1	127.2680	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	125.4355	0.931	4	125.4355	0.866	4	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,3|H<1>}	126.4150	0.000	1	126.4150	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH){1|O<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Si<4>,2|C<3>,2|H<1>}	123.1020	0.000	1	123.1020	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|O<1>,2|N<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	124.4560	0.000	1	124.4560	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	124.5700	0.106	2	124.5700	0.011	2	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>}	123.3060	0.000	1	123.3060	0.000	1	126.0756	2.392	303	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	128.2190	0.000	1	128.2190	0.000	1	128.2190	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C){1|C<4>,5|C<3>}	127.1040	0.000	1	127.1040	0.000	1	128.2972	1.461	4	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	128.2760	1.196	2	128.2760	1.431	2	128.2972	1.461	4	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	129.5330	0.000	1	129.5330	0.000	1	128.2972	1.461	4	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	131.9280	0.000	1	131.9280	0.000	1	131.9280	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	126.8670	0.000	1	126.8670	0.000	1	128.1193	1.180	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	128.7455	0.083	2	128.7455	0.007	2	128.1193	1.180	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.4300	0.000	1	124.4300	0.000	1	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.8759	0.793	7	126.8759	0.628	7	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	128.3810	0.000	1	128.3810	0.000	1	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Ti)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Ti)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	126.6710	0.706	2	126.6710	0.498	2	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.8645	0.745	4	126.8645	0.554	4	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.6040	0.000	1	126.2223	0.600	3	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.5315	0.791	2	126.2223	0.600	3	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	128.3620	0.000	1	128.3620	0.000	1	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.9923	1.307	3	122.9923	1.709	3	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	127.7010	0.000	1	127.7010	0.000	1	126.3239	2.786	23	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|Br<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	130.4710	0.000	1	130.4710	0.000	1	130.4710	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	126.5990	0.000	2	126.5990	0.000	2	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.7316	0.384	5	124.1792	1.320	6	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	126.4170	0.000	1	124.1792	1.320	6	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	124.7510	0.000	1	124.7510	0.000	1	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	129.2500	0.000	1	129.2500	0.000	1	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.3983	0.159	3	127.3983	0.025	3	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	127.2860	0.294	3	127.2860	0.087	3	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	126.4910	0.000	1	127.2504	0.765	9	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.3454	0.884	8	127.2504	0.765	9	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,4|H<1>}	136.1180	0.000	1	136.1180	0.000	1	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.5680	0.000	1	125.5680	0.000	1	126.7877	6.015	27	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	125.0710	0.000	1	125.0710	0.000	1	126.6647	4.886	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	129.1880	0.000	1	129.1880	0.000	1	126.6647	4.886	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	125.7350	0.000	1	125.7350	0.000	1	126.6647	4.886	3	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	125.4710	0.000	1	125.4710	0.000	1	125.4710	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:P[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH)	C(C[5a]C[5a,6a]C[5a])(P[6]O[6]2O)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(P[6]O[6]2O)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	125.4040	0.000	1	125.4040	0.000	1	125.4040	0.000	1	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS)	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.7790	0.000	1	124.7790	0.000	1	127.1498	1.860	5	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS)	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.7425	0.371	4	127.7425	0.138	4	127.1498	1.860	5	126.2189	2.883	386	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.1785	0.900	2	125.1785	0.810	2	125.4180	0.577	3	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,1|S<4>,2|H<1>}	125.8970	0.000	1	125.8970	0.000	1	125.4180	0.577	3	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO){1|H<1>,1|S<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	119.8495	1.351	2	119.8495	1.826	2	122.4680	11.146	4	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO)	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.5330	0.000	1	126.5330	0.000	1	122.4680	11.146	4	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO)	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.6400	0.000	1	123.6400	0.000	1	122.4680	11.146	4	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	128.3970	0.000	1	128.3970	0.000	1	128.3970	0.000	1	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:C-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	126.6880	0.000	1	126.6880	0.000	1	126.6880	0.000	1	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:N-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN){1|C<4>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	125.5620	0.000	1	125.5620	0.000	1	125.5620	0.000	1	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:S-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.6430	0.000	1	126.6430	0.000	1	126.6430	0.000	1	124.8560	7.794	11	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	126.3780	0.000	1	126.3780	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.0870	0.000	1	127.0870	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.5090	0.000	1	126.5090	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.7080	0.000	1	127.7080	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.0250	0.440	2	121.0250	0.193	2	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	127.7740	0.000	1	127.7740	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	125.8990	0.000	1	125.8990	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|H<1>}	125.3100	0.000	1	125.3100	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	126.0880	0.000	1	126.0880	0.000	1	125.4803	6.126	10	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|S<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	132.7700	0.000	1	132.7700	0.000	1	129.9240	10.059	3	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	128.5010	2.823	2	128.5010	7.968	2	129.9240	10.059	3	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	126.7925	2.186	2	126.7925	4.777	2	127.7937	5.396	3	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	129.7960	0.000	1	129.7960	0.000	1	127.7937	5.396	3	126.7472	9.044	16	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	123.7500	0.000	1	123.7500	0.000	1	123.7500	0.000	1	123.7500	0.000	1	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	128.0510	0.000	1	128.0510	0.000	1	128.2950	0.119	2	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	128.5390	0.000	1	128.5390	0.000	1	128.2950	0.119	2	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.3300	0.000	1	126.3300	0.000	1	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.2720	0.000	1	126.2720	0.000	1	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.3110	2.318	2	125.0180	2.944	3	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.4320	0.000	1	125.0180	2.944	3	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.8670	0.238	2	122.8670	0.056	2	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	127.7930	0.000	1	127.7930	0.000	1	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	128.1757	0.258	3	128.1757	0.067	3	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.3640	0.511	2	126.3640	0.261	2	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.3225	0.319	2	126.3225	0.102	2	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	125.3490	0.000	1	125.3490	0.000	1	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	126.1980	0.000	1	126.1980	0.000	1	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	123.4900	0.000	1	123.4900	0.000	1	125.8956	3.153	18	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH){1|H<1>,1|N<3>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	131.1984	0.719	7	131.1984	0.517	7	131.0484	0.488	10	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){1|Ni<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|Ni<4>,1|H<1>,1|N<3>,4|C<3>}	131.0415	0.241	2	131.0415	0.058	2	131.0484	0.488	10	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	130.0120	0.000	1	130.0120	0.000	1	131.0484	0.488	10	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,4|C<3>}	127.5280	0.000	1	127.6790	0.046	2	127.6790	0.046	2	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	127.8300	0.000	1	127.6790	0.046	2	127.6790	0.046	2	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:P-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP)	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	126.6250	0.000	1	126.6250	0.000	1	126.6250	0.000	1	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|Br<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	129.4610	0.000	1	129.4610	0.000	1	129.4610	0.000	1	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCCH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	129.7660	0.000	1	129.7660	0.000	1	129.7660	0.000	1	127.8401	6.983	35	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	126.1080	0.000	1	126.1080	0.000	1	126.1080	0.000	1	126.1080	0.000	1	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.9320	0.000	1	125.9320	0.000	1	125.9320	0.000	1	125.9320	0.000	1	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	125.9430	0.000	1	125.9430	0.000	1	127.1225	0.625	4	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	127.4300	0.000	1	127.4300	0.000	1	127.1225	0.625	4	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	127.4910	0.000	1	127.4910	0.000	1	127.1225	0.625	4	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.6260	0.000	1	127.6260	0.000	1	127.1225	0.625	4	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	132.0980	0.113	2	132.0980	0.013	2	132.0980	0.013	2	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	131.2135	0.694	2	129.8609	1.353	7	129.8609	1.353	7	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	129.8725	0.473	2	129.8609	1.353	7	129.8609	1.353	7	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	128.9513	0.797	3	129.8609	1.353	7	129.8609	1.353	7	129.3625	3.898	13	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[6,6]-4:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.2730	0.051	2	124.2730	0.003	2	124.2730	0.003	2	124.2730	0.003	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:3:4:	4:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[3x6]-4:C[5a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO){2|C<3>,2|H<1>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	128.1980	0.000	1	128.1980	0.000	1	128.1980	0.000	1	128.1980	0.000	1	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:2:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	129.1550	3.514	2	129.1550	12.350	2	129.1550	12.350	2	129.1550	12.350	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	128.7080	0.245	2	128.7080	0.060	2	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.1230	0.000	1	125.1230	0.000	1	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	128.3180	1.663	2	128.3194	3.997	26	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.9900	0.000	1	128.3194	3.997	26	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.0025	0.739	2	128.3194	3.997	26	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	128.8892	1.255	21	128.3194	3.997	26	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	130.0740	0.000	1	130.0740	0.000	1	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	127.1248	1.132	4	125.8285	0.927	24	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	126.4680	0.000	1	125.8285	0.927	24	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	125.3410	0.833	10	125.8285	0.927	24	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	125.7231	0.451	9	125.8285	0.927	24	127.2001	4.078	54	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	128.1300	0.000	1	128.1300	0.000	1	128.1300	0.000	1	127.1665	4.088	56	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.1950	0.000	1	127.1950	0.000	1	127.9571	1.748	8	127.9571	1.748	8	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	129.2200	0.713	2	129.2200	0.508	2	127.9571	1.748	8	127.9571	1.748	8	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	128.2630	1.807	2	127.6044	1.834	5	127.9571	1.748	8	127.9571	1.748	8	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	127.1653	1.145	3	127.6044	1.834	5	127.9571	1.748	8	127.9571	1.748	8	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[4]C[4]N[4]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[4]C[4]N[4]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	130.2360	1.632	2	130.2360	2.663	2	130.2360	2.663	2	130.2360	2.663	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[3]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	123.8595	0.334	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	124.2680	0.000	1	124.2680	0.000	1	124.2680	0.000	1	123.8595	0.334	2	126.6304	5.549	1327	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH){1|N<3>}	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	127.3150	0.266	2	127.3150	0.071	2	127.3150	0.071	2	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br){1|N<3>}	127.7950	0.000	1	127.7950	0.000	1	127.7950	0.000	1	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	126.5805	0.590	4	126.9348	1.245	18	126.9348	1.245	18	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	127.8858	1.992	4	126.9348	1.245	18	126.9348	1.245	18	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	126.6962	0.625	10	126.9348	1.245	18	126.9348	1.245	18	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CBrHH)	C(C[5a]C[5a]O[5a])(Br)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CBrHH){1|C<3>}	C(C[5a]C[5a]O[5a])(Br)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	134.8450	0.000	1	134.8450	0.000	1	134.8450	0.000	1	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CClHH)	C(C[5a]C[5a]S[5a])(Cl)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CClHH){1|Cl<1>}	C(C[5a]C[5a]S[5a])(Cl)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	129.4110	0.000	1	129.4110	0.000	1	129.4110	0.000	1	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	128.6010	0.413	2	129.2862	0.601	44	129.2862	0.601	44	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<2>}	128.9907	0.462	12	129.2862	0.601	44	129.2862	0.601	44	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	129.4501	0.841	30	129.2862	0.601	44	129.2862	0.601	44	128.6583	2.441	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	128.1220	0.000	1	128.1220	0.000	1	128.1220	0.000	1	126.8200	15.811	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-2:	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN){1|N<2>}	121.1065	0.336	2	122.4620	5.569	3	122.4620	5.569	3	126.8200	15.811	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-2:	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN){1|N<3>}	125.1730	0.000	1	122.4620	5.569	3	122.4620	5.569	3	126.8200	15.811	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:S-2:	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC)	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC){1|C<4>}	135.1730	0.000	1	135.1730	0.000	1	135.1730	0.000	1	126.8200	15.811	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH){1|C<3>}	127.0930	0.000	1	127.0930	0.000	1	127.0930	0.000	1	126.8200	15.811	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(CH3){1|O<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS){1|O<1>}	127.4825	0.308	2	127.4825	0.095	2	127.4825	0.095	2	126.8200	15.811	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:Se-2:	C[5a](C[5a]S[5a]Se)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SeSe)	C[5a](C[5a]S[5a]Se)(S[5a]C[5a])(CH3){1|O<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SeSe){1|O<1>}	127.7305	0.131	2	127.7305	0.017	2	127.7305	0.017	2	126.8200	15.811	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|H<1>}	131.7050	0.618	4	131.7050	0.382	4	131.5014	0.441	7	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|Mn<6>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|Mn<6>}	130.6210	0.000	1	130.6210	0.000	1	131.5014	0.441	7	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|Mn<6>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|Mn<6>}	131.0070	0.000	1	131.5345	0.557	2	131.5014	0.441	7	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|Mo<8>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|Mo<8>}	132.0620	0.000	1	131.5345	0.557	2	131.5014	0.441	7	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO){1|C<3>}	130.1860	1.047	2	130.1860	1.095	2	130.1860	1.095	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	126.1543	0.309	3	126.1522	0.064	4	126.1522	0.064	4	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<4>}	126.1460	0.000	1	126.1522	0.064	4	126.1522	0.064	4	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NCH)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NCH)	130.5480	0.000	1	130.5480	0.000	1	130.9040	0.253	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NNO)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NNO)	131.2600	0.000	1	131.2600	0.000	1	130.9040	0.253	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CNO)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CNO){1|C<3>}	130.2900	0.000	1	130.2900	0.000	1	129.8955	0.311	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO){1|C<3>}	129.5010	0.000	1	129.5010	0.000	1	129.8955	0.311	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCH){1|H<1>}	126.2373	0.136	3	126.2373	0.018	3	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCO){1|N<3>}	127.5092	0.943	5	127.5092	0.890	5	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]O)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]O){1|N<3>}	126.3557	1.172	3	126.3557	1.374	3	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CHO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CHO){1|H<1>}	127.3240	0.000	1	127.3240	0.000	1	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CNO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CNO){1|H<1>}	127.8910	0.000	1	127.8910	0.000	1	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	126.7938	0.451	9	126.9933	0.477	12	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<4>}	127.7650	0.000	1	126.9933	0.477	12	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	127.5055	1.462	2	126.9933	0.477	12	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CHN)	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CHN)	127.8310	0.000	1	127.8310	0.000	1	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CNO)	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CNO)	129.3115	0.169	2	129.3115	0.029	2	127.1755	1.012	28	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	127.2610	0.000	1	126.7645	0.493	2	126.7645	0.493	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	126.2680	0.000	1	126.7645	0.493	2	126.7645	0.493	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH)	C(C[5a]C[5a]O[5a])(Cl)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH){1|C<3>}	C(C[5a]C[5a]O[5a])(Cl)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO){1|C<3>}	136.2890	0.000	1	136.2890	0.000	1	136.2890	0.000	1	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3){1|C<3>}	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO){1|C<3>}	135.5140	0.000	1	135.5140	0.000	1	135.5140	0.000	1	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CHO)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CHO){1|C<3>}	134.5790	0.000	1	134.5790	0.000	1	135.2445	0.886	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO){1|C<3>}	135.9100	0.000	1	135.9100	0.000	1	135.2445	0.886	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CF3)	C(C[5a]C[5a]S[5a])(F)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CF3){1|C<3>}	C(C[5a]C[5a]S[5a])(F)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|C<3>}	131.6580	0.000	1	131.6580	0.000	1	131.6580	0.000	1	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){1|O<2>,5|C<3>}	131.1750	0.000	1	130.6215	0.397	10	130.6215	0.397	10	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	130.5600	0.636	9	130.6215	0.397	10	130.6215	0.397	10	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHH)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHH){1|C<3>}	127.7055	0.554	2	127.7055	0.307	2	127.7055	0.307	2	129.0173	6.959	64	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH){1|C<4>}	129.7340	0.000	1	129.7340	0.000	1	129.7340	0.000	1	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH){1|N<3>}	126.7810	0.000	1	126.7810	0.000	1	125.9264	0.531	7	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH){1|C<4>}	126.2600	0.000	1	126.2600	0.000	1	125.9264	0.531	7	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3){1|N<3>}	125.4060	1.058	2	125.6888	0.516	5	125.9264	0.531	7	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|P<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3){1|P<3>}	125.8773	0.582	3	125.6888	0.516	5	125.9264	0.531	7	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:P-4:	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3){1|C<3>}	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:S-4:	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SC[6a]OO){1|C<3>}	126.7880	0.000	1	126.7880	0.000	1	127.9450	2.677	2	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:S-4:	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SN[5]OO)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SN[5]OO){1|C<4>}	129.1020	0.000	1	129.1020	0.000	1	127.9450	2.677	2	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>}	136.5150	0.000	1	136.5150	0.000	1	136.5150	0.000	1	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH)	C(C[5a]C[5a]S[5a])(Br)(H)2	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH){1|O<1>}	C(C[5a]C[5a]S[5a])(Br)(H)2	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH){1|O<1>}	125.7950	0.000	1	125.7950	0.000	1	125.7950	0.000	1	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	129.9035	0.042	2	129.3304	0.472	5	129.3304	0.472	5	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3){1|P<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|P<3>}	128.9483	0.629	3	129.3304	0.472	5	129.3304	0.472	5	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3){1|O<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3){1|O<1>}	127.0560	0.368	2	127.0560	0.135	2	127.0560	0.135	2	127.8115	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3){1|B<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)(H){1|B<4>,1|C<3>,1|N<3>}	127.8160	0.000	2	127.8160	0.000	2	127.8160	0.000	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)(H){1|S<2>,2|C<3>}	127.1430	0.246	2	127.1430	0.061	2	127.1160	0.419	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H){3|C<3>}	127.0980	0.898	3	127.0980	0.806	3	127.1160	0.419	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(Br){1|B<4>}	128.8080	0.414	3	128.8080	0.171	3	128.8080	0.171	3	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	128.0525	0.395	2	128.2100	0.153	3	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|S<2>,2|C<3>}	128.5250	0.000	1	128.2100	0.153	3	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	127.9020	0.000	1	128.0949	0.431	24	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.8030	0.284	2	128.0949	0.431	24	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|Pt<4>,2|C<3>}	127.9040	0.000	1	128.0949	0.431	24	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.1433	0.709	20	128.0949	0.431	24	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<3>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(H){1|C<3>,2|O<2>}	128.0150	0.000	1	128.0150	0.000	1	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	128.3745	1.091	2	128.2127	0.674	3	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	127.8890	0.000	1	128.2127	0.674	3	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	127.0515	2.116	2	127.0515	4.479	2	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	127.8593	0.343	3	128.0197	0.609	10	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	128.1340	0.000	1	128.0197	0.609	10	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	128.2060	0.000	1	128.0197	0.609	10	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|Pt<4>}	129.3980	0.000	1	128.0197	0.609	10	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Ru<9>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|Ru<9>}	128.3135	0.161	2	128.0197	0.609	10	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	127.1270	1.195	2	128.0197	0.609	10	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	128.5340	0.622	2	127.8135	1.294	4	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Pt<4>,2|N<3>}	127.0930	1.191	2	127.8135	1.294	4	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Cu<3>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Cu<3>,1|C<3>,1|N<3>}	128.6590	0.000	1	128.1758	0.725	30	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	127.9240	0.233	2	128.1758	0.725	30	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	128.1535	0.573	6	128.1758	0.725	30	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Os<6>,1|C<3>,1|N<3>}	128.8365	0.749	8	128.1758	0.725	30	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	127.6673	0.396	3	128.1758	0.725	30	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	127.8153	1.008	10	128.1758	0.725	30	128.0830	0.648	77	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.9355	0.643	4	128.9355	0.414	4	128.9355	0.414	4	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.7637	0.224	3	129.7637	0.050	3	129.7637	0.050	3	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	129.5440	0.000	1	129.5440	0.000	1	128.2440	3.380	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CFFH){1|C<4>}	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	126.9440	0.000	1	126.9440	0.000	1	128.2440	3.380	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH){1|C<3>}	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.1865	0.424	2	129.1865	0.179	2	129.1865	0.179	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)(H){2|C<3>}	128.5440	0.000	1	128.5440	0.000	1	128.5440	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br){2|C<3>}	127.8610	0.375	2	127.8610	0.140	2	127.8610	0.140	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H){3|C<3>}	126.4360	0.000	1	126.4360	0.000	1	127.9934	0.592	27	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	128.1890	0.664	22	128.1269	0.449	24	127.9934	0.592	27	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.4440	0.206	2	128.1269	0.449	24	127.9934	0.592	27	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]N[5a]C)(H){2|C<3>}	127.1700	0.931	2	127.1700	0.866	2	127.9934	0.592	27	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(I)	C[5a](C[5a]C[5a,6a]I)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(I){2|C<3>}	127.5660	0.129	2	127.5660	0.017	2	127.5660	0.017	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br){1|C<3>}	128.6210	0.464	2	128.9211	0.538	8	128.9211	0.538	8	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br){1|H<1>}	129.8380	0.000	1	128.9211	0.538	8	128.9211	0.538	8	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br){1|C<4>}	128.8578	0.792	5	128.9211	0.538	8	128.9211	0.538	8	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl){1|B<4>}	128.8740	0.000	1	128.7010	0.138	6	128.7010	0.138	6	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	128.5110	0.169	3	128.7010	0.138	6	128.7010	0.138	6	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl){1|H<1>}	129.3540	0.000	1	128.7010	0.138	6	128.7010	0.138	6	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	128.4450	0.000	1	128.7010	0.138	6	128.7010	0.138	6	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	129.2290	0.000	1	128.9458	1.460	5	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.8750	1.383	4	128.9458	1.460	5	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	128.5450	0.000	1	128.9087	0.377	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	129.1780	0.000	1	128.9087	0.377	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	129.5560	0.966	2	128.9087	0.377	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	129.4050	0.000	1	128.9087	0.377	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.7391	0.554	10	128.9087	0.377	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	129.7195	0.363	2	128.6793	0.543	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	128.6127	0.646	11	128.6793	0.543	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	128.0050	0.410	2	128.6793	0.543	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	128.7870	0.031	3	128.3815	0.599	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	128.2374	0.868	11	128.3815	0.599	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<4>}	128.7510	0.000	1	128.3815	0.599	15	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	128.2554	0.416	5	128.2554	0.173	5	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	129.1725	0.891	25	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	128.5024	0.788	65	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	133.1842	5.570	9	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	128.4917	0.951	7	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	128.2784	0.682	14	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|S<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|S<4>}	128.8640	1.489	2	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|W<6>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|W<6>}	129.4315	0.530	2	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Co<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Co<4>}	131.7470	0.000	1	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Co<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Co<6>}	130.7115	0.721	2	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Cr<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Cr<6>}	131.7700	1.667	2	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Cu<5>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Cu<5>}	131.9920	0.000	1	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Fe<6>}	130.3790	0.551	4	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Mo<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Mo<6>}	129.2930	0.659	2	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Ni<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Ni<6>}	132.9520	0.000	1	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Pt<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Pt<4>}	129.8000	0.182	4	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Ru<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Ru<6>}	134.0350	0.000	1	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Si<4>}	128.6398	0.843	25	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<5>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Si<5>}	128.9707	0.836	6	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Zn<4>}	132.0650	0.000	1	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	128.7610	0.151	3	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	128.7322	0.612	95	128.9900	2.487	272	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	128.3950	0.000	1	128.4902	0.597	5	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	128.4093	1.060	3	128.4902	0.597	5	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	128.8280	0.000	1	128.4902	0.597	5	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	128.9950	0.000	1	128.9950	0.000	1	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	127.5540	0.280	3	127.5540	0.078	3	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	128.5540	0.387	2	128.2004	0.800	8	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	128.0825	1.011	6	128.2004	0.800	8	128.8969	2.126	344	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I){1|C<3>}	128.8970	0.000	1	128.8970	0.000	1	128.8970	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H){1|H<1>}	129.1251	0.774	11	129.1251	0.599	11	129.1251	0.599	11	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	128.6840	0.000	1	128.6840	0.000	1	128.6840	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|N<3>,1|O<1>}	128.6560	0.000	1	128.6560	0.000	1	128.6560	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.6663	0.509	3	127.6663	0.259	3	127.6663	0.259	3	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(O)	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(O){1|H<1>,2|C<3>}	124.1240	0.000	1	124.1240	0.000	1	124.1240	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrHH)	C(C[5a]C[5a]O[5a])(Br)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrHH){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(Br)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|N<3>}	133.4560	0.000	1	133.4560	0.000	1	133.4560	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|N<3>}	133.0235	0.829	2	133.3367	0.405	4	132.9225	0.694	6	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){2|C<3>}	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<3>}	133.6500	0.365	2	133.3367	0.405	4	132.9225	0.694	6	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3){1|C<4>}	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	132.0940	0.443	2	132.0940	0.196	2	132.9225	0.694	6	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){2|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]O[5a]C)(H){1|C<3>,1|H<1>,2|C<4>}	133.5340	0.000	1	133.5340	0.000	1	133.8842	0.291	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	133.1300	0.000	1	133.9717	0.337	4	133.8842	0.291	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|O<1>,2|C<3>}	134.2523	0.182	3	133.9717	0.337	4	133.8842	0.291	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	132.9760	0.000	1	133.2956	0.116	5	133.2956	0.116	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|O<2>,2|C<3>}	133.5465	0.162	2	133.2956	0.116	5	133.2956	0.116	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){3|C<3>}	133.2045	0.441	2	133.2956	0.116	5	133.2956	0.116	5	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Br)	133.1890	0.000	1	133.1890	0.000	1	133.1890	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Cl)	133.3990	0.000	1	133.3990	0.000	1	133.3990	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]O[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	134.0030	0.000	1	134.0030	0.000	1	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<2>,1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|N<2>}	134.6430	0.000	1	134.8904	1.233	17	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<2>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|N<3>}	135.8114	1.681	5	134.8904	1.233	17	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<4>}	134.4943	0.490	11	134.8904	1.233	17	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){1|C<4>,2|C<3>}	134.8360	0.000	1	134.8360	0.000	1	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|B<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|B<3>}	133.4640	0.000	1	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.1206	0.737	35	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.5167	0.604	42	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|N<3>}	133.8750	0.000	1	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|H<1>,1|P<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|P<4>}	134.5415	0.510	4	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|Si<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|Si<4>}	133.9890	0.000	1	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|Si<5>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|Si<5>}	134.7240	0.697	2	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){2|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.8270	0.000	1	134.3413	0.459	87	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(H){1|C<3>}	133.9700	0.000	1	133.9700	0.000	1	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|S<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(H){1|C<3>}	133.8250	0.000	1	133.8250	0.000	1	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H){1|N<2>,1|S<2>}	134.6900	0.000	1	134.6900	0.000	1	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	134.4065	0.484	2	134.3244	0.304	5	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	134.2697	0.692	3	134.3244	0.304	5	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(H)	134.7136	0.932	5	134.4151	0.605	29	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(H)	134.3529	0.749	24	134.4151	0.605	29	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]O[5a]C)(H){1|C<3>,1|C<4>}	133.8760	0.000	1	133.8760	0.000	1	134.4145	0.580	144	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(I)	C[5a](C[5a]C[5a]I)(O[5a]N[5a])(CH3){1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(I)	133.1830	0.000	2	133.1830	0.000	2	133.1830	0.000	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	127.7670	0.325	2	127.7670	0.106	2	127.7670	0.106	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){1|B<3>,1|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	128.4190	0.505	2	128.4190	0.255	2	128.0031	0.720	11	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	128.1010	0.000	1	128.1010	0.000	1	128.0031	0.720	11	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.3305	1.160	2	127.8243	1.225	6	128.0031	0.720	11	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){3|C<3>}	127.5713	1.156	4	127.8243	1.225	6	128.0031	0.720	11	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H){1|B<3>,2|C<3>}	128.0745	0.518	2	128.0745	0.269	2	128.0031	0.720	11	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|C<3>}	129.9677	1.388	3	129.9677	1.928	3	129.9677	1.928	3	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	128.8299	0.919	10	128.8152	0.580	32	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	128.7868	0.826	12	128.8152	0.580	32	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|S<2>}	128.3268	0.441	4	128.8152	0.580	32	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	129.3433	0.269	4	128.8152	0.580	32	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.8330	0.035	2	128.8152	0.580	32	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<2>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	128.9924	0.774	7	129.0185	0.205	71	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<4>}	128.8307	0.301	6	129.0185	0.205	71	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<2>}	128.2903	0.196	3	129.0185	0.205	71	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	129.0820	0.390	55	129.0185	0.205	71	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	128.4672	1.059	34	128.4398	0.966	80	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|P<4>}	128.4150	0.537	3	128.4398	0.966	80	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|S<4>}	128.8790	0.000	1	128.4398	0.966	80	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	128.3332	1.026	33	128.4398	0.966	80	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	128.9684	0.480	7	128.4398	0.966	80	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|Si<4>,1|C<3>,1|C<4>}	127.7000	0.110	2	128.4398	0.966	80	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	128.4960	0.243	2	128.6974	0.169	8	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	128.7587	0.572	4	128.6974	0.169	8	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<4>,3|C<3>}	128.7760	0.177	2	128.6974	0.169	8	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	129.2970	0.000	1	128.9557	4.747	11	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	127.8440	0.000	1	128.9557	4.747	11	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	128.9762	0.490	5	128.9557	4.747	11	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.1227	3.875	4	128.9557	4.747	11	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	128.7516	0.548	36	128.7880	0.287	52	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	128.7195	0.532	11	128.7880	0.287	52	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	129.2203	0.347	4	128.7880	0.287	52	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|H<1>,1|P<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|P<4>}	129.1230	0.000	1	128.7880	0.287	52	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H){1|C<3>}	128.6975	0.892	2	128.6975	0.795	2	128.7502	0.731	256	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]I)(C[5a]S[5a]C)(I)	C[5a](C[5a]C[5a]I)(S[5a]C[5a])(CH3){1|C<4>,1|I<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]I)(C[5a]S[5a]C)(I){1|C<4>}	129.5270	0.229	2	129.5270	0.052	2	129.5270	0.052	2	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|N<2>,1|O<1>}	128.1860	0.000	1	128.1860	0.000	1	128.1860	0.000	1	129.6715	5.797	946	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CN)	127.5750	0.000	1	127.5750	0.000	1	127.5750	0.000	1	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NC)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NC){1|C<3>}	126.8815	0.327	2	126.8815	0.107	2	129.0633	2.701	19	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NN){1|C<3>}	127.0125	0.513	4	127.0125	0.263	4	129.0633	2.701	19	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN){1|C<3>}	129.7723	0.191	6	130.1736	0.591	9	129.0633	2.701	19	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN){1|C<4>}	130.9760	0.907	3	130.1736	0.591	9	129.0633	2.701	19	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NO){1|H<1>}	128.7235	0.156	2	128.7235	0.024	2	129.0633	2.701	19	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NN)	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NN)	130.6905	0.039	2	130.6905	0.002	2	129.0633	2.701	19	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS){1|C<4>}	128.1950	0.000	1	128.1950	0.000	1	129.4265	1.350	6	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5])	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5]){1|H<1>}	128.6850	0.000	1	130.1360	1.629	3	129.4265	1.350	6	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5])	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|Re<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5]){1|Re<6>}	130.8615	0.316	2	130.1360	1.629	3	129.4265	1.350	6	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5a])	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5a]){1|H<1>}	129.1580	0.000	1	129.1580	0.000	1	129.4265	1.350	6	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(SS)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(SS){1|C<3>,2|C<4>}	128.7980	0.000	1	128.7980	0.000	1	129.4265	1.350	6	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	125.9280	0.000	1	125.9280	0.000	1	126.4920	0.636	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(CH3){1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a]){1|C<3>,2|N<2>}	127.0560	0.000	1	127.0560	0.000	1	126.4920	0.636	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SeC[5])	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SeC[5]){1|C<3>,1|H<1>,1|N<2>}	128.4940	0.000	1	128.4940	0.000	1	129.4570	1.855	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SeC[5])	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SeC[5]){1|H<1>}	130.4200	0.000	1	130.4200	0.000	1	129.4570	1.855	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	136.1035	0.739	2	136.1035	0.546	2	136.1035	0.546	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>}	125.1960	0.000	1	126.7115	4.593	2	126.7115	4.593	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	128.2270	0.000	1	126.7115	4.593	2	126.7115	4.593	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]O[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a]){1|H<1>,1|N<2>,2|C<3>}	130.2780	0.000	1	130.2780	0.000	1	130.2780	0.000	1	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	127.6663	0.549	6	127.6663	0.302	6	127.6663	0.302	6	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(OH)	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(OH){1|H<1>,2|C<3>}	127.8860	0.000	1	127.8860	0.000	1	127.8860	0.000	1	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3){3|C<3>}	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	134.5530	0.000	1	134.5530	0.000	1	134.5530	0.000	1	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]C)(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]C)(SC){1|O<2>,2|C<3>}	133.2460	0.000	1	133.0738	0.187	4	133.1740	0.119	15	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]C)(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]C)(SC){3|C<3>}	133.0163	0.510	3	133.0738	0.187	4	133.1740	0.119	15	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC){3|C<3>}	133.1575	0.334	2	133.1575	0.112	2	133.1740	0.119	15	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]){3|C<3>}	133.4995	0.340	2	133.4995	0.116	2	133.1740	0.119	15	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|C<4>,2|C<3>}	133.1660	0.000	1	133.1430	0.104	7	133.1740	0.119	15	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	133.1392	0.353	6	133.1430	0.104	7	133.1740	0.119	15	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NN)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NN)	133.6065	0.865	2	133.6065	0.748	2	133.6065	0.748	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	135.5780	0.291	2	135.5780	0.085	2	135.5780	0.085	2	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){6|C<3>}	130.1280	0.000	1	130.1280	0.000	1	130.0367	0.462	11	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	129.7675	0.719	2	130.0645	0.442	6	130.0367	0.462	11	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	130.4270	0.662	3	130.0645	0.442	6	130.0367	0.462	11	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<4>,4|C<3>}	129.5710	0.000	1	130.0645	0.442	6	130.0367	0.462	11	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|P<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|O<1>,5|C<3>}	130.2965	1.196	2	130.2523	0.721	3	130.0367	0.462	11	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|P<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<1>,5|C<3>}	130.1640	0.000	1	130.2523	0.721	3	130.0367	0.462	11	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|S<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a]){2|O<1>,4|C<3>}	129.1320	0.000	1	129.1320	0.000	1	130.0367	0.462	11	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN){1|H<1>,2|C<3>}	127.6830	0.000	1	127.6830	0.000	1	127.6830	0.000	1	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(CH3){1|S<2>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>,3|C<3>}	129.4160	0.790	3	129.4160	0.625	3	129.4160	0.625	3	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	133.5310	0.000	1	131.2447	3.730	7	131.2447	3.730	7	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.9205	0.876	2	131.2447	3.730	7	131.2447	3.730	7	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	129.5610	1.168	2	131.2447	3.730	7	131.2447	3.730	7	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	130.1095	1.076	2	131.2447	3.730	7	131.2447	3.730	7	130.4001	6.533	84	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CClHH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CClHH){1|C<3>}	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	130.6810	0.000	1	130.6810	0.000	1	130.6810	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]N[5a]C)(COO){1|C<3>,1|C<4>,1|N<3>}	129.3730	0.000	1	129.3730	0.000	1	129.3730	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	129.7100	1.797	2	129.7100	3.231	2	129.7100	3.231	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	126.7860	0.000	1	126.7860	0.000	1	126.7860	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHN){3|C<3>}	128.4690	0.000	1	128.4690	0.000	1	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO){1|C<3>}	129.7950	0.000	1	128.9545	1.413	2	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO){1|C<4>}	128.1140	0.000	1	128.9545	1.413	2	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<4>}	127.3060	0.153	2	127.3060	0.023	2	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO){1|C<4>}	128.4240	0.000	1	128.4240	0.000	1	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|S<2>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN){1|C<4>}	130.1790	0.044	2	130.1790	0.002	2	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN){1|C<4>}	129.5170	0.065	2	129.5170	0.004	2	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(COO){1|C<3>}	129.1140	0.000	1	129.1140	0.000	1	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(CHN){2|C<3>}	128.4650	0.000	1	128.4650	0.000	1	128.8654	1.018	12	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){4|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	127.7930	0.000	1	127.7930	0.000	1	127.9440	0.046	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	128.0950	0.000	1	128.0950	0.000	1	127.9440	0.046	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO){1|C<3>}	129.8813	0.390	3	129.8813	0.152	3	129.8813	0.152	3	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH){2|C<3>}	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	129.1060	0.000	1	129.1060	0.000	1	129.1060	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NCH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NCH){1|C<4>}	127.7920	0.000	1	127.7920	0.000	1	127.7920	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	129.2840	0.072	2	129.2840	0.005	2	128.8810	0.490	3	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CHO){2|C<3>}	128.0750	0.000	1	128.0750	0.000	1	128.8810	0.490	3	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	129.0520	0.000	1	129.0520	0.000	1	129.0520	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO)	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO){1|H<1>,2|C<3>}	129.3315	0.561	2	129.3315	0.314	2	129.3315	0.314	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH){3|C<3>}	128.6000	0.000	1	128.6000	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	131.1230	0.000	1	131.1230	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHN){3|C<3>}	128.9713	0.151	3	128.9713	0.023	3	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHO){3|C<3>}	128.2510	0.000	1	128.2510	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	129.1960	0.000	1	129.5285	0.221	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<4>}	129.8610	0.000	1	129.5285	0.221	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH){1|C<3>}	129.0260	0.000	1	127.9735	2.216	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH){1|C<3>}	126.9210	0.000	1	127.9735	2.216	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCN){1|C<3>}	130.7230	0.000	1	130.7230	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCS)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCS){1|C<4>}	126.6565	0.381	2	126.6565	0.145	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO){1|C<3>}	127.9025	0.351	4	127.9025	0.123	4	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]O){1|C<3>}	129.4150	0.000	1	129.4150	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(COO){1|C<3>}	129.2610	0.000	1	129.2610	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCH){1|C<3>}	127.1876	0.357	5	127.1876	0.127	5	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<3>}	130.9625	0.405	8	131.0737	0.255	9	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<4>}	131.9630	0.000	1	131.0737	0.255	9	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	130.0220	0.952	27	130.0371	0.879	28	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<4>}	130.4460	0.000	1	130.0371	0.879	28	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[3x6]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[3x6]O){1|C<3>}	132.7200	0.000	1	132.7200	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C){1|C<3>}	129.8475	0.351	2	129.8475	0.124	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]H){1|C<3>}	126.5350	0.000	1	126.5350	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C){1|C<3>}	129.3565	2.382	2	129.3565	5.675	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6]O){1|C<3>}	130.5778	0.523	5	130.5778	0.274	5	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	130.2758	1.022	23	130.2758	1.044	23	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	130.0245	0.880	18	130.0170	0.783	20	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<4>}	129.9495	1.299	2	130.0170	0.783	20	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<3>}	127.6110	0.211	2	128.0809	0.437	8	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<4>}	128.2375	0.697	6	128.0809	0.437	8	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO){1|C<3>}	128.2245	0.110	4	128.1496	0.060	7	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO){1|C<4>}	128.0497	0.367	3	128.1496	0.060	7	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN){1|C<3>}	127.3030	0.000	1	127.3030	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHO){1|C<3>}	128.4320	0.474	2	128.4320	0.224	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]H){1|C<3>}	128.3720	0.000	1	128.3720	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHN){1|C<3>}	129.1340	0.000	1	129.1340	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHO){1|C<3>}	129.0810	0.000	1	129.0810	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCH){1|C<3>}	129.1125	0.395	2	129.1125	0.156	2	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCO){1|C<3>}	128.5300	0.000	1	128.5300	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN){1|C<3>}	128.5873	0.668	6	128.5873	0.446	6	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO){1|C<3>}	128.9412	0.243	4	129.0570	0.111	5	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO){1|C<4>}	129.5200	0.000	1	129.0570	0.111	5	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(CHO){1|C<3>,2|C<4>}	127.7740	0.000	1	127.7740	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	128.6920	0.000	1	130.1593	1.268	7	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	130.4038	1.009	6	130.1593	1.268	7	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(COO)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(COO)	128.9280	0.000	1	128.9280	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(COO)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(COO)	129.1580	0.000	1	129.1580	0.000	1	129.5067	1.757	160	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[5]C[5]2){1|H<1>,2|C<4>,2|N<2>}	127.8040	0.000	1	127.8040	0.000	1	127.8040	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|N<3>,4|C<3>}	128.3290	0.000	1	128.3290	0.000	1	128.7530	0.307	22	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)2	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	128.8098	0.575	19	128.8098	0.331	19	128.7530	0.307	22	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,1|O<2>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|C<3>}	128.4255	0.187	2	128.4255	0.035	2	128.7530	0.307	22	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	130.5222	0.736	4	130.6892	2.116	6	130.4164	2.284	7	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,3|C<3>}	128.9470	0.000	1	130.6892	2.116	6	130.4164	2.284	7	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Pd<4>,2|C<3>,2|H<1>}	133.0990	0.000	1	130.6892	2.116	6	130.4164	2.284	7	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	128.7800	0.000	1	128.7800	0.000	1	130.4164	2.284	7	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO){1|C<4>}	129.4670	0.000	1	129.4670	0.000	1	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NOO){1|H<1>}	131.1120	0.000	1	130.5735	0.580	2	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NOO){1|C<4>}	130.0350	0.000	1	130.5735	0.580	2	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NHH)	127.6430	0.000	1	127.6430	0.000	1	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	130.6440	0.757	6	130.6440	0.573	6	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C)(NOO){1|C<3>,1|C<4>,1|H<1>}	130.9460	0.000	1	130.5128	0.259	4	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C)(NOO){1|H<1>,2|C<4>}	130.3683	0.513	3	130.5128	0.259	4	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]O[5a]C[6])(C[5a]N[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]O[5a]C[6])(C[5a]N[5a]C)(NOO){1|H<1>,2|C<4>}	129.9332	0.652	4	129.9332	0.426	4	130.2169	0.865	18	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	127.8530	0.383	2	127.8530	0.147	2	127.8530	0.147	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>}	129.3360	0.000	1	129.3360	0.000	1	128.8590	0.455	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){2|N<2>,3|H<1>}	128.3820	0.000	1	128.3820	0.000	1	128.8590	0.455	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	129.5360	0.000	1	129.5360	0.000	1	129.5360	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	129.8590	0.137	2	129.8590	0.019	2	129.8590	0.019	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(CNO)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(CNO){1|C<3>,1|H<1>,1|S<2>}	129.6893	0.517	3	129.6893	0.268	3	129.6893	0.268	3	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,2|C<3>}	129.8013	0.167	3	129.8013	0.028	3	129.8013	0.028	3	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	128.7970	0.154	2	128.7970	0.024	2	128.7970	0.024	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCO){3|C<3>}	133.1730	0.000	1	133.1730	0.000	1	133.9103	0.619	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]C)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]C){1|H<1>,2|C<3>}	133.1050	0.321	2	133.1050	0.103	2	133.9103	0.619	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	135.1030	0.000	1	135.1030	0.000	1	133.9103	0.619	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|N<2>,1|N<3>,1|O<1>}	134.7630	0.031	2	134.1414	0.330	5	133.9103	0.619	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|C<4>,2|C<3>}	133.5970	0.000	1	134.1414	0.330	5	133.9103	0.619	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|H<1>,2|C<3>}	133.7920	0.081	2	134.1414	0.330	5	133.9103	0.619	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	135.5290	0.228	2	134.8783	0.921	4	134.8783	0.921	4	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	134.2275	1.009	2	134.8783	0.921	4	134.8783	0.921	4	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SCO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SCO){3|C<3>}	132.8390	0.000	1	132.8390	0.000	1	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]O){3|C<3>}	134.0483	0.143	3	134.0483	0.020	3	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	133.2661	0.303	11	133.2661	0.092	11	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]O){1|H<1>,2|C<3>}	133.2840	0.489	2	133.2840	0.239	2	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|C<4>,2|C<3>}	134.7050	0.000	1	133.1699	0.447	9	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|H<1>,2|C<3>}	132.9780	0.364	8	133.1699	0.447	9	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|C<4>,2|C<3>}	133.7212	0.379	25	133.4089	0.166	69	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	133.2315	0.306	44	133.4089	0.166	69	133.3813	0.195	95	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCH){1|C<3>}	134.3440	0.000	1	134.3440	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCO){1|C<4>}	136.4020	0.000	1	136.4020	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[5]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	135.1205	0.076	2	135.1205	0.006	2	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]O){1|C<3>}	135.3630	0.000	1	135.3630	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CNO){1|H<1>}	133.3060	1.783	2	133.3060	3.180	2	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<2>,1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO){1|C<3>}	134.5630	0.000	1	135.1827	0.813	4	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO){1|C<3>}	135.3893	0.982	3	135.1827	0.813	4	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CCO){3|C<3>}	134.1230	0.000	1	134.1230	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CCO){1|C<3>}	134.0899	0.555	8	134.4017	0.587	13	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CCO){1|C<4>}	134.9006	0.846	5	134.4017	0.587	13	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	134.6892	0.529	11	134.6892	0.279	11	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CNS)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CNS){1|H<1>}	134.5825	1.331	2	134.5825	1.773	2	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO){1|C<3>}	134.7520	1.095	3	134.7280	0.631	5	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO){1|N<3>}	134.4420	0.000	1	134.7280	0.631	5	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO){1|H<1>}	134.9420	0.000	1	134.7280	0.631	5	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(COO){1|C<3>}	134.6640	0.000	1	134.6640	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5,6]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5,6]N[5a])(C[5a]O[5a]C)(COO){1|C<3>,2|O<2>}	134.1530	0.000	1	134.1530	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CCO){2|C<3>}	134.6360	0.000	1	134.6360	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNN)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNN){2|C<3>}	135.2710	0.000	1	135.2710	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO){2|C<3>}	134.1070	0.000	1	134.1070	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO){2|C<3>}	134.5098	0.634	6	134.5098	0.402	6	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(COO)	133.6048	1.214	6	133.6048	1.474	6	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]C)(COO){1|Cl<1>,2|C<3>}	135.1235	0.063	2	135.1235	0.004	2	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CNO)	134.4793	0.570	9	134.4793	0.325	9	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(COO)	135.1220	0.000	1	135.1220	0.000	1	134.5365	0.695	72	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[4]-3:	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[4]C[4]2)	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[4]C[4]2){1|C<3>,2|C<4>,2|F<1>}	134.8890	0.713	4	134.3331	0.663	8	134.3331	0.663	8	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[4]-3:	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[4]C[4]2)	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[4]C[4]2){1|C<4>,2|C<3>,2|F<1>}	133.7773	0.463	4	134.3331	0.663	8	134.3331	0.663	8	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	134.1660	0.000	1	134.1660	0.000	1	134.1660	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	134.0870	0.000	1	134.0870	0.000	1	133.7924	0.101	5	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	134.0550	0.000	1	134.0550	0.000	1	133.7924	0.101	5	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	133.6260	0.000	1	133.6260	0.000	1	133.7924	0.101	5	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){3|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	133.8670	0.000	1	133.8670	0.000	1	133.7924	0.101	5	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	133.3270	0.000	1	133.3270	0.000	1	133.7924	0.101	5	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(C[5a]O[5a]C){1|C<4>,1|H<1>,2|C<3>}	136.9890	0.000	1	136.9890	0.000	1	136.9890	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<4>,1|H<1>,3|C<3>}	135.1240	0.000	1	135.1240	0.000	1	134.7920	0.220	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|N<2>,3|C<3>}	134.4600	0.000	1	134.4600	0.000	1	134.7920	0.220	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5,6]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C)	C[5a](C[5a]C[5,6]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|P<4>,2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C){1|P<4>,5|C<4>}	130.1250	0.000	1	130.1250	0.000	1	130.1250	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,1|S<2>,2|C<3>}	130.0805	0.220	2	129.5770	0.423	4	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Si<4>,1|C<4>,1|S<2>,2|C<3>}	129.0735	0.455	2	129.5770	0.423	4	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,3|C<3>}	129.7310	0.000	1	129.3376	0.277	5	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|S<4>,3|C<3>}	129.9900	0.000	1	129.3376	0.277	5	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|S<4>,4|C<3>}	128.9890	0.286	3	129.3376	0.277	5	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<3>,1|N<3>,3|C<4>}	129.4243	1.419	6	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.5270	1.147	12	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,3|C<3>}	129.9110	0.000	1	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	129.4907	0.388	4	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	129.2813	1.154	6	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	130.5893	1.601	3	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	130.1010	0.000	1	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	128.0390	0.000	1	129.5394	1.311	34	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	129.5857	0.153	3	129.5857	0.024	3	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,2|O<1>,3|C<3>}	129.8560	0.000	1	129.4340	0.282	4	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	129.2933	0.552	3	129.4340	0.282	4	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){3|C<3>,3|C<4>}	129.4905	0.788	2	129.4905	0.622	2	129.5156	0.929	52	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(CH3){1|C<4>,1|S<2>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	128.6780	1.242	2	128.6780	1.542	2	128.6780	1.542	2	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	128.2569	1.345	21	128.3138	1.598	24	128.3138	1.598	24	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	128.7127	0.147	3	128.3138	1.598	24	128.3138	1.598	24	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]C){1|H<1>,1|S<2>,4|C<3>}	128.7735	1.115	2	128.7735	1.243	2	128.8055	0.568	4	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3){1|S<2>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C){1|H<1>,1|N<2>,4|C<3>}	128.8375	0.675	2	128.8375	0.456	2	128.8055	0.568	4	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCC){1|C<4>}	130.2720	0.045	2	130.2720	0.002	2	130.4293	1.483	21	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCO){1|C<4>}	130.7884	1.723	10	130.7884	2.967	10	130.4293	1.483	21	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCO){1|C<4>}	130.0942	0.213	6	130.0942	0.045	6	130.4293	1.483	21	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCS)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCS){1|C<3>}	130.0073	0.297	3	130.0073	0.088	3	130.4293	1.483	21	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[4]-3:	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[4]C[4]2)	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[4]C[4]2){1|C<4>,2|C<3>,2|F<1>}	128.1710	0.000	1	128.1710	0.000	1	128.1710	0.000	1	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){2|C<3>,2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	129.0520	0.000	1	129.0520	0.000	1	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	127.3590	0.000	1	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|F<1>}	130.0900	0.260	2	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	129.3375	0.197	2	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	129.7390	0.000	1	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	128.4511	1.591	30	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	129.1541	0.725	11	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|O<2>,2|C<3>,3|C<4>}	129.2050	0.000	1	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,3|C<4>}	129.6330	0.000	1	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	129.7898	1.222	44	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	129.7827	0.469	7	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	129.6680	0.452	4	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Fe<8>,1|C<3>,2|C<4>,2|F<1>}	130.1100	0.495	2	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,2|F<1>}	130.8670	0.000	1	129.3272	1.781	107	129.3246	1.765	108	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	130.2430	0.000	1	130.2430	0.000	1	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C){1|Pt<4>,1|C<4>,1|S<2>,2|C<3>}	129.3583	0.256	3	129.3583	0.065	3	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,2|C<3>}	129.7352	0.617	10	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	129.7122	0.494	6	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<2>,3|C<3>}	128.9420	1.390	2	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<2>,2|C<3>}	128.5770	0.000	1	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<2>,2|C<3>,2|C<4>}	129.5400	0.000	1	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	129.2620	0.570	2	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	130.1770	0.000	1	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	130.0230	0.000	1	129.5979	0.427	24	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<4>,1|S<2>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C){4|C<3>}	129.3650	1.348	2	129.3650	1.816	2	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,3|C<3>}	129.2388	1.154	4	129.2388	1.332	4	129.5398	0.511	34	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>}	129.4130	0.837	2	129.3532	0.622	6	129.3532	0.622	6	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|O<1>,4|C<3>}	129.3233	0.894	4	129.3532	0.622	6	129.3532	0.622	6	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	128.7240	0.100	2	129.2470	0.595	7	129.4221	0.751	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	129.9940	0.000	1	129.2470	0.595	7	129.4221	0.751	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|F<1>,4|C<3>}	129.9955	0.213	2	129.2470	0.595	7	129.4221	0.751	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	128.6480	0.755	2	129.2470	0.595	7	129.4221	0.751	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|S<2>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	130.0350	1.213	2	130.0350	1.472	2	129.4221	0.751	9	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<2>,4|C<3>}	129.6995	1.292	2	129.6995	1.669	2	129.2704	0.574	16	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>,4|C<3>}	129.3575	0.575	6	129.3575	0.330	6	129.2704	0.574	16	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,4|C<3>}	128.8393	0.291	3	128.7813	0.448	6	129.2704	0.574	16	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){5|C<3>}	128.7233	1.013	3	128.7813	0.448	6	129.2704	0.574	16	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,2|C<3>}	130.0440	0.000	1	130.0470	0.000	2	129.2704	0.574	16	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	130.0500	0.000	1	130.0470	0.000	2	129.2704	0.574	16	130.6251	5.383	729	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|H<1>}	129.4093	0.373	6	129.4093	0.139	6	129.1771	0.286	8	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	128.4805	0.094	2	128.4805	0.009	2	129.1771	0.286	8	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){2|C<3>}	130.0510	0.000	1	130.0510	0.000	1	130.0510	0.000	1	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3){1|O<2>,1|S<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3){1|C<3>,1|S<4>}	125.8290	0.000	1	125.8290	0.000	1	125.8290	0.000	1	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	127.8740	0.000	1	127.8740	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	128.2505	0.770	6	128.2505	0.592	6	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<4>}	127.9660	0.000	2	127.9660	0.000	2	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>}	128.2480	0.000	1	128.2480	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CCHH){1|H<1>}	128.5927	0.439	3	128.5927	0.193	3	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|H<1>}	129.2046	0.889	7	129.2046	0.790	7	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5a]HH){1|H<1>}	129.1589	0.482	14	129.1589	0.232	14	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[6a]HH){1|H<1>}	128.7830	0.045	2	128.7830	0.002	2	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3){1|C<3>}	127.2503	0.109	3	127.4440	0.220	7	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	127.8110	0.000	1	127.4440	0.220	7	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3){1|C<4>}	127.5153	0.719	3	127.4440	0.220	7	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHN){1|H<1>}	128.5980	0.000	1	128.5980	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHO){1|H<1>}	128.6760	0.000	1	128.6760	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHS)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHS){1|H<1>}	128.9360	0.000	1	128.9360	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH){1|C<3>}	128.0430	0.000	1	128.0430	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	128.1570	0.000	1	128.1570	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	128.8740	0.000	1	128.8740	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	127.7520	0.000	1	127.7520	0.000	1	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CCHH)	127.9455	0.173	2	127.9455	0.030	2	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	127.0828	0.683	11	127.1471	0.378	16	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	127.2884	0.465	5	127.1471	0.378	16	128.2198	0.939	68	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|N<3>,1|O<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	129.2665	0.202	2	129.2665	0.041	2	129.2665	0.041	2	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(N[5a]O[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	130.3140	0.000	1	130.3140	0.000	1	130.3140	0.000	1	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	128.3156	0.476	5	128.3168	0.162	8	128.4834	0.392	9	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|H<1>}	128.4065	0.428	2	128.3168	0.162	8	128.4834	0.392	9	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	128.1430	0.000	1	128.3168	0.162	8	128.4834	0.392	9	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3){1|C<3>}	129.8170	0.000	1	129.8170	0.000	1	128.4834	0.392	9	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O){1|C<3>}	130.9630	0.000	1	130.9630	0.000	1	130.9630	0.000	1	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	127.7000	0.000	1	127.7000	0.000	1	127.7000	0.000	1	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|P<4>,2|C<3>}	126.9770	0.000	1	128.4263	0.295	11	128.9748	2.093	13	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	128.5712	0.266	10	128.4263	0.295	11	128.9748	2.093	13	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH){1|C<4>}	131.9915	0.811	2	131.9915	0.658	2	128.9748	2.093	13	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO){1|H<1>,2|C<3>}	133.5450	0.000	1	133.5450	0.000	1	133.5450	0.000	1	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH){1|C<3>,2|C<4>}	133.8500	0.000	1	133.8500	0.000	1	133.5370	0.106	3	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	133.3805	0.257	2	133.3805	0.066	2	133.5370	0.106	3	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	133.4105	0.196	2	133.4105	0.038	2	133.3913	0.020	3	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH){1|H<1>,2|C<3>}	133.3530	0.000	1	133.3530	0.000	1	133.3913	0.020	3	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]OO){3|C<3>}	136.0077	0.389	8	136.0077	0.151	8	134.6488	0.374	83	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]OO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]OO){1|H<1>,2|C<3>}	134.0110	0.000	1	134.0110	0.000	1	134.6488	0.374	83	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	134.4376	0.381	8	134.4376	0.146	8	134.6488	0.374	83	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	134.5193	0.429	66	134.5193	0.184	66	134.6488	0.374	83	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|C<4>}	134.6635	0.412	2	134.6635	0.170	2	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN){1|C<3>}	133.8560	0.000	1	133.8560	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	134.0590	0.000	1	134.0590	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	133.6330	0.000	1	133.6330	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS){1|N<3>,2|C<3>}	134.3420	0.000	1	134.3420	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH){1|C<3>}	133.7720	0.000	1	133.7720	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|C<4>}	134.4335	0.716	2	134.4335	0.513	2	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(CHHN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(CHHN){1|C<3>}	134.8610	0.000	1	134.8610	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	134.6660	0.000	1	134.6660	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	133.0400	0.000	1	133.0400	0.000	1	134.2019	0.353	12	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C)	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CH3){1|C<3>,1|C<4>,2|O<2>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C){2|C<4>}	134.4855	0.163	2	134.4855	0.027	2	134.4855	0.027	2	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(SC[6a]OO){1|H<1>}	136.4190	0.000	1	136.4190	0.000	1	134.9627	1.716	3	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3)	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(SC[6a]OO){1|C<4>}	134.2345	0.501	2	134.2345	0.251	2	134.9627	1.716	3	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3){2|S<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH){1|C<3>,1|S<2>}	128.6620	0.000	1	128.6620	0.000	1	127.9775	0.937	2	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3){2|S<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3){1|C<3>,1|S<2>}	127.2930	0.000	1	127.2930	0.000	1	127.9775	0.937	2	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3){1|C<3>,2|N<2>}	128.4857	0.841	3	128.4857	0.707	3	128.9894	0.426	8	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|N<3>,1|O<1>}	129.4460	0.496	2	129.4007	0.129	3	128.9894	0.426	8	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|O<1>,1|O<2>}	129.3100	0.000	1	129.4007	0.129	3	128.9894	0.426	8	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	129.1280	0.034	2	129.1280	0.001	2	128.9894	0.426	8	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(SCOO)	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(SCOO){1|H<1>,2|C<3>}	132.5060	0.000	1	132.5060	0.000	1	132.5060	0.000	1	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	129.2970	0.000	1	128.3207	0.816	3	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<4>}	127.8325	0.449	2	128.3207	0.816	3	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH){1|C<4>}	129.4280	0.000	1	129.4280	0.000	1	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	130.0535	0.289	2	130.0535	0.084	2	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH){1|C<4>}	129.0480	0.000	1	129.0480	0.000	1	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<2>,1|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<2>}	127.9970	0.000	1	128.9766	0.537	7	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<4>}	129.0310	0.610	2	128.9766	0.537	7	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	128.4300	0.000	1	128.9766	0.537	7	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	129.4490	0.678	3	128.9766	0.537	7	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	130.0800	0.259	4	130.0800	0.067	4	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3){3|C<3>}	128.6660	0.000	1	128.6660	0.000	1	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|S<2>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH){1|S<2>}	128.3870	0.701	3	128.3870	0.491	3	129.1149	0.740	22	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5,6]C[5a])(C[5a]S[5a]C)(PC[6a]2Rh)	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5,6]C[5a])(C[5a]S[5a]C)(PC[6a]2Rh){1|C<3>,2|C<4>}	133.0310	0.000	1	133.0310	0.000	1	130.8551	0.916	23	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(PC[6a]2Cu)	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3){1|C<4>,1|P<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(PC[6a]2Cu){1|C<4>}	130.7562	0.851	22	130.7562	0.723	22	130.8551	0.916	23	131.1709	8.782	268	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	126.6920	0.000	1	126.6920	0.000	1	126.6920	0.000	1	126.6920	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>}	127.1240	0.205	2	127.1240	0.042	2	127.1240	0.042	2	127.1240	0.042	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){2|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	126.1560	0.204	2	126.1560	0.041	2	126.1560	0.041	2	126.5745	0.147	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,4|C<3>}	126.9010	0.270	2	126.9010	0.073	2	126.7837	0.056	4	126.5745	0.147	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	126.5250	0.000	1	126.6665	0.040	2	126.7837	0.056	4	126.5745	0.147	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	126.8080	0.000	1	126.6665	0.040	2	126.7837	0.056	4	126.5745	0.147	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	128.5255	1.125	2	128.5255	1.266	2	128.5255	1.266	2	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	127.5080	0.273	2	127.5080	0.074	2	128.8678	0.672	11	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){4|C<3>}	128.8270	0.000	1	128.8270	0.000	1	128.8678	0.672	11	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Fe<10>,1|C<3>,3|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2{1|C<3>,2|C<4>,2|H<1>}	128.8090	0.000	1	129.3057	0.245	4	128.8678	0.672	11	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Fe<10>,4|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2{2|H<1>,3|C<4>}	129.4713	0.451	3	129.3057	0.245	4	128.8678	0.672	11	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){1|N<2>,2|H<1>,3|C<3>}	129.5610	0.000	1	129.5610	0.000	1	128.8678	0.672	11	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	128.6660	0.601	2	128.6660	0.361	2	128.8678	0.672	11	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|N<2>,2|C<3>,3|H<1>}	129.5870	0.000	1	129.5870	0.000	1	128.8678	0.672	11	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.7200	0.000	1	127.7200	0.000	1	127.7050	0.000	2	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|H<1>,4|C<3>}	127.6900	0.000	1	127.6900	0.000	1	127.7050	0.000	2	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,5|C<3>}	130.2790	0.037	2	130.2790	0.001	2	131.2920	0.930	5	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a]S[5a])(H)3	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<2>,4|C<3>}	131.9673	0.385	3	131.9673	0.148	3	131.2920	0.930	5	129.3234	2.099	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|H<1>}	124.9735	0.807	2	124.9735	0.651	2	125.1557	0.304	4	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	125.3380	0.358	2	125.3380	0.128	2	125.1557	0.304	4	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|N<2>}	C(C[5a]C[5a]N[5a])(SC)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	125.5770	0.447	2	125.5770	0.200	2	125.5770	0.200	2	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	135.2697	0.764	3	135.2697	0.583	3	135.2697	0.583	3	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OC)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO){1|Cl<1>}	C(C[5a]C[5a]S[5a])(OC)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	126.1410	0.000	1	126.1410	0.000	1	127.9827	2.427	4	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO){1|Cl<1>}	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	129.7920	0.000	1	129.7920	0.000	1	127.9827	2.427	4	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(ON)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO){1|Cl<1>}	C(C[5a]C[5a]S[5a])(ON)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	127.9990	0.783	2	127.9990	0.614	2	127.9827	2.427	4	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHS)	C(C[5a]C[5a]S[5a])(SC[6])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHS){1|Cl<1>}	C(C[5a]C[5a]S[5a])(SC[6])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	127.6920	0.000	1	127.6920	0.000	1	127.6920	0.000	1	128.3721	16.182	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	125.2760	0.618	2	125.2760	0.382	2	126.2140	1.322	4	126.2140	1.322	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	127.1520	0.253	2	127.1520	0.064	2	126.2140	1.322	4	126.2140	1.322	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS){1|C<3>}	137.1690	0.000	1	137.1690	0.000	1	137.1690	0.000	1	127.4536	11.805	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO){1|O<1>}	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO){1|O<1>}	126.4821	1.257	10	126.4821	1.580	10	126.4821	1.580	10	127.4536	11.805	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	128.6780	0.000	1	128.6780	0.000	1	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OB[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OB[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.3938	0.229	4	130.3938	0.053	4	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.4760	0.000	1	130.6501	0.555	8	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.6750	0.801	7	130.6501	0.555	8	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[5])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.7357	1.134	3	130.7357	1.286	3	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.0960	2.008	2	129.0960	4.033	2	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.8571	1.124	16	129.8571	1.264	16	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.5215	0.591	4	130.5215	0.350	4	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(ON)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(ON)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.4300	0.000	1	130.4300	0.000	1	130.1560	1.061	39	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	127.3400	0.000	1	127.3400	0.000	1	127.3400	0.000	1	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	128.9520	0.843	2	128.9520	0.710	2	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	129.2500	0.000	1	129.2500	0.000	1	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	129.1750	0.000	1	129.1750	0.000	1	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[6])(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	131.1140	1.464	6	131.1140	2.142	6	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.1970	0.000	1	130.1970	0.000	1	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.2392	0.662	6	130.2392	0.438	6	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.8900	0.000	1	130.8900	0.000	1	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.8833	0.731	8	129.8833	0.534	8	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	129.1920	0.000	1	129.1920	0.000	1	130.1405	1.140	27	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHS){1|C<4>}	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.1910	0.000	1	130.1910	0.000	1	130.1910	0.000	1	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Se-2:H-1:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH)	C(C[5a]C[5a]N[5a])(SeC[6a])(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(SeC[6a])(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	127.4900	0.000	1	127.4900	0.000	1	127.4730	0.071	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Se-2:H-1:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH)	C(C[5a]C[5a]N[5a])(SeSe)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(SeSe)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	127.4645	0.377	2	127.4645	0.142	2	127.4730	0.071	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CN)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CN)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	135.2170	0.000	1	135.2170	0.000	1	135.2170	0.000	1	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.1000	1.226	3	134.1000	1.504	3	134.1000	1.504	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CHHO){2|C<3>}	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|O<1>,2|C<3>}	133.2397	0.783	3	133.2397	0.613	3	133.2397	0.613	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.1290	0.000	1	134.1290	0.000	1	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.3820	0.000	1	133.3820	0.000	1	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	133.4437	0.822	6	133.4405	0.526	8	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	133.0380	0.000	1	133.4405	0.526	8	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.8240	0.000	1	133.4405	0.526	8	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H){1|C<3>,1|N<2>}	133.9842	0.468	6	133.9842	0.219	6	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[5])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]O[5a])(OC[5])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	133.9740	0.000	1	133.9740	0.000	1	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	133.5700	0.000	1	133.5700	0.000	1	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	135.8190	0.000	1	134.0000	2.576	3	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	133.0905	0.435	2	134.0000	2.576	3	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	134.3390	0.133	2	134.3390	0.018	2	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(ON)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(ON)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H){1|C<3>,1|N<2>}	133.9070	0.000	1	133.9070	0.000	1	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(ON)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(ON)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	132.9125	0.108	2	132.9125	0.012	2	133.7267	0.549	26	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(SC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	133.5315	0.148	2	133.5315	0.022	2	133.6113	0.030	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SC[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){2|H<1>}	C(C[5a]C[5a]O[5a])(SC[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.7710	0.000	1	133.7710	0.000	1	133.6113	0.030	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|Br<1>,1|H<1>}	C(C[5a]C[5a]S[5a])(CN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	129.8420	0.000	1	129.8420	0.000	1	129.8420	0.000	1	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.3845	0.835	4	127.3845	0.698	4	127.3845	0.698	4	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){2|C<4>}	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<4>}	129.4320	0.000	1	129.4320	0.000	1	128.6533	0.294	7	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	128.1500	0.512	2	128.1500	0.262	2	128.6533	0.294	7	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	128.6800	0.000	1	128.7103	0.125	4	128.6533	0.294	7	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	128.7203	0.432	3	128.7103	0.125	4	128.6533	0.294	7	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS)	C(C[5a]C[5a]S[5a])(SC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(SC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	127.6600	0.185	2	127.6600	0.034	2	127.3620	0.284	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS)	C(C[5a]C[5a]S[5a])(SZn)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS){2|H<1>}	C(C[5a]C[5a]S[5a])(SZn)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	126.7660	0.000	1	126.7660	0.000	1	127.3620	0.284	3	130.8756	4.934	122	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	127.2620	0.000	1	127.2620	0.000	1	127.2620	0.000	1	127.2620	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHO){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	129.4905	0.671	2	129.4905	0.450	2	129.4905	0.450	2	130.2810	2.100	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCN)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCN)	131.8620	0.000	1	131.8620	0.000	1	131.8620	0.000	1	130.2810	2.100	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	130.8890	0.000	1	130.8890	0.000	1	129.6594	1.709	9	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	129.2830	0.000	1	129.2830	0.000	1	129.6594	1.709	9	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	127.7800	0.037	2	127.7800	0.001	2	129.6594	1.709	9	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	129.9010	0.000	1	129.9010	0.000	1	129.6594	1.709	9	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|N<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	130.3255	1.019	4	130.3255	1.039	4	129.6594	1.709	9	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO){2|C<3>}	131.7130	0.000	1	131.7130	0.000	1	131.7130	0.000	1	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NN)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(NN)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	132.9665	0.627	2	132.9665	0.393	2	132.9665	0.393	2	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO)	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(OC)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	133.4890	0.312	3	133.4890	0.097	3	133.4890	0.097	3	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CHHO)	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CHHO){2|C<4>,3|H<1>}	C(C[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	129.3385	0.582	2	129.3385	0.339	2	129.3385	0.339	2	130.8074	3.906	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-2:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHS)	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHS){2|H<1>}	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	135.3550	0.000	1	135.3550	0.000	1	135.3550	0.000	1	128.6275	22.422	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.5670	0.000	1	127.5670	0.000	1	125.9040	5.531	2	128.6275	22.422	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	124.2410	0.000	1	124.2410	0.000	1	125.9040	5.531	2	128.6275	22.422	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S-2:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHS)	C(C[5a]C[5a]S[5a])(SC[6a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHS){2|H<1>}	C(C[5a]C[5a]S[5a])(SC[6a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.3470	0.000	1	127.3470	0.000	1	127.3470	0.000	1	128.6275	22.422	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:2:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:O-2:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCO)	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCO){1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	128.9440	0.000	1	128.9440	0.000	1	128.9440	0.000	1	128.9440	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	126.6750	0.000	1	126.6750	0.000	1	126.6267	0.007	3	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<2>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	126.6025	0.100	2	126.6025	0.010	2	126.6267	0.007	3	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH){1|N<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	127.1480	0.000	1	127.1480	0.000	1	127.1480	0.000	1	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH){1|Cl<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|Cl<1>}	125.8430	0.000	1	125.8430	0.000	1	125.8430	0.000	1	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<3>}	128.3760	0.066	2	128.3760	0.004	2	128.3760	0.004	2	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SCuC)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|C<3>}	C(C[5a]C[5a]N[5a])(SCuC)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	128.4000	0.000	1	128.4000	0.000	1	128.4000	0.000	1	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH){1|Br<1>}	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Br<1>}	127.8080	0.000	1	128.0560	0.123	2	128.0560	0.123	2	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH){1|Cl<1>}	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	128.3040	0.000	1	128.0560	0.123	2	128.0560	0.123	2	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH)	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH){1|Cl<1>}	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	127.8443	0.309	3	127.8443	0.096	3	127.8443	0.096	3	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[6]HH){1|Cl<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	127.8486	0.592	5	127.8486	0.350	5	127.8486	0.350	5	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH){1|Cl<1>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	128.8910	0.000	1	128.8910	0.000	1	128.8910	0.000	1	127.6738	0.677	19	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(OH){1|H<1>}	129.0080	0.000	1	129.0080	0.000	1	129.0080	0.000	1	129.0080	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:P-3:	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PC[6a]2)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PC[6a]2){1|N<3>}	125.8360	2.305	2	125.8360	5.314	2	125.4607	1.959	4	126.0272	3.074	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:P-3:	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PC[6a]2)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PC[6a]2){1|N<3>}	125.0855	0.001	2	125.0855	0.000	2	125.4607	1.959	4	126.0272	3.074	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH)	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH){1|C<3>}	128.2930	0.000	1	128.2930	0.000	1	128.2930	0.000	1	126.0272	3.074	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<2>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<2>}	132.1687	1.293	3	133.0028	1.930	6	133.0028	1.930	6	133.0028	1.930	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<3>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	133.8370	1.032	3	133.0028	1.930	6	133.0028	1.930	6	133.0028	1.930	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	128.9470	0.941	3	128.9470	0.885	3	128.9470	0.885	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.5820	0.000	1	127.5820	0.000	1	127.5820	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	128.7067	0.968	3	128.7067	0.936	3	128.7067	0.936	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	128.7663	1.337	3	128.7663	1.788	3	128.8542	1.223	4	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.1180	0.000	1	129.1180	0.000	1	128.8542	1.223	4	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<3>}	130.1050	0.000	1	130.1050	0.000	1	129.9440	0.854	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.7770	0.000	1	130.7770	0.000	1	129.9440	0.854	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.9500	0.000	1	128.9500	0.000	1	129.9440	0.854	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.2900	0.000	1	129.2900	0.000	1	129.3303	0.103	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	129.3505	0.450	2	129.3505	0.203	2	129.3303	0.103	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHN){2|C<4>}	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	129.4720	1.779	2	129.4720	3.165	2	129.4720	3.165	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.2428	1.108	4	129.2428	1.228	4	130.1941	1.433	15	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.6606	1.045	10	130.6606	1.093	10	130.1941	1.433	15	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.3350	0.000	1	129.3350	0.000	1	130.1941	1.433	15	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	128.6670	0.000	1	128.6670	0.000	1	128.6670	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.9970	0.000	1	129.9970	0.000	1	129.8448	0.457	6	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.4705	0.158	2	130.4705	0.025	2	129.8448	0.457	6	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.1790	0.751	2	129.1790	0.564	2	129.8448	0.457	6	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.7730	0.000	1	129.7730	0.000	1	129.8448	0.457	6	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	129.6500	0.000	1	129.6500	0.000	1	128.2160	4.113	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	126.7820	0.000	1	126.7820	0.000	1	128.2160	4.113	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.2953	0.780	3	130.2953	0.609	3	130.0531	0.299	7	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.8715	0.298	4	129.8715	0.089	4	130.0531	0.299	7	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.4515	0.783	2	129.4515	0.613	2	129.7063	0.311	4	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.9610	0.245	2	129.9610	0.060	2	129.7063	0.311	4	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.8390	0.000	1	130.8390	0.000	1	129.8567	0.491	10	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.7476	0.647	9	129.7476	0.419	9	129.8567	0.491	10	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.6180	0.870	2	130.6180	0.756	2	129.9330	1.786	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.5630	0.000	1	128.5630	0.000	1	129.9330	1.786	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	129.9860	0.000	1	129.9860	0.000	1	129.9860	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.2930	0.724	2	130.2930	0.524	2	130.2930	0.524	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.0660	0.000	1	129.0660	0.000	1	130.1535	2.365	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	131.2410	0.000	1	131.2410	0.000	1	130.1535	2.365	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.7705	1.016	2	129.7705	1.032	2	129.7705	1.032	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.3970	0.000	1	129.3970	0.000	1	129.5560	0.051	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.7150	0.000	1	129.7150	0.000	1	129.5560	0.051	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.0955	1.036	2	129.0955	1.073	2	129.0955	1.073	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCH)(H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(CCH)(H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]O[5a]C)(H){3|C<3>}	135.6620	0.000	1	135.6620	0.000	1	135.6620	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CCO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	133.6030	0.000	1	133.6030	0.000	1	133.6030	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	133.5230	0.000	1	133.5230	0.000	1	134.1010	2.410	4	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	135.0135	1.917	2	135.0135	3.675	2	134.1010	2.410	4	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	132.8540	0.000	1	132.8540	0.000	1	134.1010	2.410	4	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.1770	0.000	1	133.1770	0.000	1	133.1770	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	133.6180	0.298	3	133.6180	0.089	3	133.6180	0.089	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|H<1>}	134.4620	0.000	1	134.0510	0.338	2	134.7883	1.800	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|H<1>}	133.6400	0.000	1	134.0510	0.338	2	134.7883	1.800	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){3|C<3>}	136.2630	0.000	1	136.2630	0.000	1	134.7883	1.800	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	135.6060	0.000	1	132.0816	14.795	10	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	131.6900	3.863	9	132.0816	14.795	10	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.4081	1.334	15	133.4081	1.779	15	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	132.9775	0.291	2	132.9775	0.084	2	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[5]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(NC[5]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	135.5450	0.000	1	135.5450	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[5a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.6190	0.000	1	132.6190	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	135.9500	0.000	1	135.9500	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.6023	0.172	3	134.6023	0.029	3	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|N<3>}	134.2670	0.000	2	134.2670	0.000	2	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.3121	1.591	22	133.3121	2.530	22	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCoC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCoC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.1273	0.484	3	134.1273	0.234	3	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NFeC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NFeC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.1356	0.999	5	134.1356	0.998	5	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.4535	0.244	2	133.4535	0.060	2	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NHP)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NHP)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	129.4190	0.000	1	129.4190	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NPdC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NPdC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.5950	0.000	1	134.5950	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NZnC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NZnC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.4320	0.000	1	133.4320	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NCC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	133.0280	0.000	1	133.0280	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	132.5960	0.000	1	132.5960	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	132.1500	0.000	1	132.1500	0.000	1	133.3206	3.816	73	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.0387	1.075	3	133.2042	1.522	6	133.6041	1.720	8	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.3697	0.749	3	133.2042	1.522	6	133.6041	1.720	8	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.2610	0.000	1	134.2610	0.000	1	133.6041	1.720	8	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	135.3470	0.000	1	135.3470	0.000	1	133.6041	1.720	8	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.0095	0.045	2	133.0095	0.002	2	133.0095	0.002	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.3870	0.000	1	134.3870	0.000	1	131.5560	8.785	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	130.1405	2.355	2	130.1405	5.548	2	131.5560	8.785	3	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH)	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	133.0270	0.000	1	133.0270	0.000	1	133.0270	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SFe2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){2|H<1>}	C(C[5a]C[5a]O[5a])(SFe2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.4405	1.132	2	132.4405	1.282	2	132.4405	1.282	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	133.2230	0.250	2	133.2230	0.063	2	133.2230	0.063	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	133.6740	0.000	1	133.6740	0.000	1	133.6740	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	127.8260	0.000	1	127.8260	0.000	1	127.8260	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]S[5a])(CCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.8140	0.000	1	127.8140	0.000	1	127.8894	2.323	8	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CNO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(CNO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	129.4250	0.953	3	129.4250	0.909	3	127.8894	2.323	8	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]S[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	126.7565	0.863	4	126.7565	0.744	4	127.8894	2.323	8	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	126.7875	1.135	8	126.7875	1.288	8	126.8842	1.211	9	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.6580	0.000	1	127.6580	0.000	1	126.8842	1.211	9	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH){1|H<1>,1|N<2>}	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|N<2>}	121.4830	0.750	2	121.4830	0.562	2	121.4830	0.562	2	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|N<2>,1|S<2>}	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|C<4>}	130.8390	0.000	1	130.8390	0.000	1	130.8390	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){1|Br<1>,1|H<1>}	C(C[5a]C[5a]S[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	127.9410	0.000	1	127.2200	3.370	5	126.8055	1.345	20	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.0397	2.068	4	127.2200	3.370	5	126.8055	1.345	20	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	126.4482	0.840	12	126.4482	0.706	12	126.8055	1.345	20	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.3365	0.155	2	127.3365	0.024	2	126.8055	1.345	20	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NPdC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NPdC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.9580	0.000	1	127.9580	0.000	1	126.8055	1.345	20	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]HH){2|H<1>}	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.5060	0.000	1	127.5060	0.000	1	127.5060	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	127.3970	0.000	1	127.9642	0.491	6	127.9642	0.491	6	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH){2|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.0776	0.720	5	127.9642	0.491	6	127.9642	0.491	6	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CN[6a]HH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CN[6a]HH){2|C<4>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){1|N<3>,3|C<4>}	127.8370	0.000	1	127.8370	0.000	1	127.8370	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]HH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]HH){2|H<1>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.2000	0.000	1	127.2000	0.000	1	127.2000	0.000	1	130.7689	8.873	234	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	126.3080	0.000	1	126.3080	0.000	1	126.3080	0.000	1	131.0074	4.386	33	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	132.0856	0.748	23	132.0856	0.560	23	132.0856	0.560	23	131.0074	4.386	33	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<2>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	130.8470	0.000	1	130.9225	0.011	2	130.9225	0.011	2	131.0074	4.386	33	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<3>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	130.9980	0.000	1	130.9225	0.011	2	130.9225	0.011	2	131.0074	4.386	33	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	128.2590	0.246	4	128.2590	0.060	4	127.5422	1.281	6	131.0074	4.386	33	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	126.1085	0.238	2	126.1085	0.057	2	127.5422	1.281	6	131.0074	4.386	33	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CN[6]HH)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CN[6]HH){3|C<3>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	131.8690	0.000	1	131.8690	0.000	1	131.8690	0.000	1	131.0074	4.386	33	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	129.3460	0.000	1	129.3460	0.000	1	129.3460	0.000	1	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	128.7010	0.000	1	128.7010	0.000	1	128.7010	0.000	1	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|C<2>,1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	132.0610	0.000	1	132.0610	0.000	1	132.0610	0.000	1	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHN){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	130.2993	0.602	4	130.2993	0.362	4	130.2993	0.362	4	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF)	C(C[5a]C[5a]O[5a])(COO)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF){4|C<3>}	C(C[5a]C[5a]O[5a])(COO)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	134.9860	0.000	1	134.9860	0.000	1	134.9860	0.000	1	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	133.1002	0.452	25	133.1002	0.204	25	133.1002	0.204	25	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[3]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[3]O){1|H<1>}	138.9860	0.000	1	138.9860	0.000	1	138.9860	0.000	1	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|S<4>,3|C<3>}	C(C[5a]C[5a]O[5a])(COO)(H)2	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	133.5920	0.000	1	133.5920	0.000	1	133.5920	0.000	1	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	134.6050	0.288	2	134.6050	0.083	2	134.6050	0.083	2	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	131.9900	0.000	1	131.9900	0.000	1	133.0490	2.243	2	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	134.1080	0.000	1	134.1080	0.000	1	133.0490	2.243	2	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	130.5220	0.000	1	130.5220	0.000	1	130.5220	0.000	1	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(COO){1|C<3>}	128.5620	0.000	1	128.5620	0.000	1	129.2865	1.050	2	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(COO)(H)2	C[5a](C[5a]C[5a]N[6])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(COO)(H)2	C[5a](C[5a]C[5a]N[6])(C[5a]S[5a]C)(COO){1|C<3>,2|C<4>}	130.0110	0.000	1	130.0110	0.000	1	129.2865	1.050	2	132.6376	3.536	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN){1|C<4>}	128.8095	1.558	2	128.8095	2.427	2	129.7777	4.025	3	131.0245	8.902	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	131.7140	0.000	1	131.7140	0.000	1	129.7777	4.025	3	131.0245	8.902	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|C<4>}	134.7650	0.000	1	134.7650	0.000	1	134.7650	0.000	1	131.0245	8.902	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:1:1:	4:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCC)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C){2|C<3>,2|H<1>}	138.0890	0.000	1	138.0890	0.000	1	138.0890	0.000	1	138.0890	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:S-2:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]C[5a]N[5a])(CN[6]O)(SC[6a])(H)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]C[5a]N[5a])(CN[6]O)(SC[6a])(H)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(H)	129.8970	0.000	1	129.8970	0.000	1	129.8970	0.000	1	129.3710	0.553	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br)	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[6a]HO){1|N<3>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br){1|N<3>}	128.8450	0.000	1	128.8450	0.000	1	128.8450	0.000	1	129.3710	0.553	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HO){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	127.6240	0.000	1	127.6240	0.000	1	127.6240	0.000	1	133.2641	8.822	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|Br<1>,1|H<1>}	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|Br<1>}	134.8850	0.680	4	134.8850	0.462	4	134.9680	0.339	6	133.2641	8.822	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|C<4>}	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<4>}	135.1340	0.474	2	135.1340	0.224	2	134.9680	0.339	6	133.2641	8.822	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO){2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	131.8070	0.631	2	131.8070	0.398	2	131.8070	0.398	2	133.2641	8.822	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<4>}	136.3830	0.000	1	136.3830	0.000	1	136.3830	0.000	1	133.2641	8.822	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	C(C[5a]C[5a]S[5a])(COO)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(COO)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	128.4760	0.000	1	128.4760	0.000	1	128.4760	0.000	1	133.2641	8.822	11	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,2|C<3>,2|H<1>}	130.5200	0.000	1	130.5200	0.000	1	130.5200	0.000	1	130.4745	0.004	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	130.4290	0.000	1	130.4290	0.000	1	130.4290	0.000	1	130.4745	0.004	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	130.0000	3.188	2	130.0000	10.161	2	130.0000	10.161	2	128.7720	9.604	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:C-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN)	C(C[5a]C[5a]S[5a])(NCC)(CC)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN){2|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NCC)(CC)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	126.3160	0.000	1	126.3160	0.000	1	126.3160	0.000	1	128.7720	9.604	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-2:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<3>}	127.6030	0.000	1	127.6030	0.000	1	127.6030	0.000	1	128.0890	0.684	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:2:2:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-2:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO)	C(C[5a]C[5a]S[5a])2(CC)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO){2|C<3>}	C(C[5a]C[5a]S[5a])2(CC)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.1497	0.863	8	128.1497	0.744	8	128.1497	0.744	8	128.0890	0.684	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:F-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CFNN)	C(C[5a]C[5a]N[5a])(NOO)2(F)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CFNN)	C(C[5a]C[5a]N[5a])(NOO)2(F)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	131.0740	0.000	1	131.0740	0.000	1	131.0740	0.000	1	131.8403	1.326	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	130.0460	0.000	1	130.0460	0.000	1	130.0460	0.000	1	131.8403	1.326	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(OC[5a])	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(OC[5a])	132.4805	0.628	4	132.4805	0.395	4	132.4805	0.395	4	131.8403	1.326	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	127.5320	0.000	1	127.5320	0.000	1	127.5320	0.000	1	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	128.3290	1.711	3	128.3290	2.928	3	128.3290	2.928	3	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	131.7770	0.000	1	131.7770	0.000	1	131.7770	0.000	1	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CC[5]H)(CCC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5]H)(CCC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	135.1250	0.000	1	135.1250	0.000	1	135.1250	0.000	1	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.0990	0.000	1	133.0990	0.000	1	132.7330	0.268	2	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.3670	0.000	1	132.3670	0.000	1	132.7330	0.268	2	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H){3|C<3>}	134.0680	0.000	1	134.0680	0.000	1	134.0680	0.000	1	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	136.0600	0.552	2	135.0344	3.332	7	135.0344	3.332	7	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	135.5220	0.456	4	135.0344	3.332	7	135.0344	3.332	7	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	131.0330	0.000	1	135.0344	3.332	7	135.0344	3.332	7	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[6a]-3:C[6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2H){2|H<1>}	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.5210	0.000	1	128.5210	0.000	1	128.5210	0.000	1	132.5128	10.860	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH){3|C<3>}	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	129.6060	0.000	1	129.6060	0.000	1	129.6060	0.000	1	127.1068	4.228	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	125.4265	0.221	2	125.4265	0.049	2	125.4265	0.049	2	127.1068	4.228	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	127.9680	0.000	1	127.9680	0.000	1	127.9680	0.000	1	127.1068	4.228	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCCH)	C(C[5a]C[5a]S[5a])(COO)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCCH){1|C<2>,1|N<3>,2|C<3>}	C(C[5a]C[5a]S[5a])(COO)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	125.6790	0.427	2	125.6790	0.182	2	125.6790	0.182	2	125.1527	0.430	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN)	C(C[5a]C[5a]S[5a])(CNO)(NCC)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN){2|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CNO)(NCC)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	124.6265	0.033	2	124.6265	0.001	2	124.6265	0.001	2	125.1527	0.430	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3){1|H<1>}	127.8980	0.430	3	127.8980	0.185	3	127.8980	0.185	3	128.2957	0.756	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]O[5a])(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]O[5a])(CC[6a]HN){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>}	129.4890	0.000	1	129.4890	0.000	1	129.4890	0.000	1	128.2957	0.756	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:2:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.6368	1.397	6	128.6368	1.951	6	128.6368	1.951	6	129.5521	4.277	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:2:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2O){2|H<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	132.2980	0.279	2	132.2980	0.078	2	132.2980	0.078	2	129.5521	4.277	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:2:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O){1|H<1>,2|C<3>}	132.6500	0.000	1	132.6500	0.000	1	132.6500	0.000	1	132.6500	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN3)	C(C[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	128.7930	0.000	1	128.7930	0.000	1	128.7930	0.000	1	128.7930	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3)	C(C[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3){2|H<1>}	C(C[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NOO){1|H<1>}	130.9390	0.000	1	130.9390	0.000	1	130.7785	0.052	2	130.7785	0.052	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3)	C(C[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO){1|H<1>}	130.6180	0.000	1	130.6180	0.000	1	130.7785	0.052	2	130.7785	0.052	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	C(C[5a]C[5a]S[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	130.0517	0.483	3	130.0517	0.233	3	129.1383	0.874	9	129.1383	0.874	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	C(C[5a]C[5a]S[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	128.6817	0.745	6	128.6817	0.555	6	129.1383	0.874	9	129.1383	0.874	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a](C[5a]N[5a]Cl)(S[5a]C[5a])(CCHN)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(S[5a]C[5a])(CCHN){1|Cl<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl){1|Cl<1>}	130.8060	0.000	1	130.8060	0.000	1	130.8060	0.000	1	130.8060	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC){1|C<3>}	132.2800	0.000	1	132.2800	0.000	1	132.2800	0.000	1	132.2800	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO){1|C<3>}	129.3310	0.000	1	129.3310	0.000	1	129.3310	0.000	1	129.3310	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	129.2270	0.000	1	129.2270	0.000	1	129.2270	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH){1|S<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	129.9100	0.000	1	129.9100	0.000	1	129.9100	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	131.0190	0.000	1	131.0190	0.000	1	131.0190	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH){1|S<4>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	130.5150	0.000	1	130.5150	0.000	1	130.5150	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:B-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<4>}	135.2930	0.000	1	135.2930	0.000	1	135.2930	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	137.2650	0.000	1	137.2650	0.000	1	134.6625	13.546	2	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	132.0600	0.000	1	132.0600	0.000	1	134.6625	13.546	2	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|O<1>,2|C<4>}	138.2520	0.000	1	138.2520	0.000	1	138.2520	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	131.2880	0.000	1	131.2880	0.000	1	133.1630	2.644	3	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.1005	0.120	2	134.1005	0.014	2	133.1630	2.644	3	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH)	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.6200	0.000	1	133.6200	0.000	1	133.6200	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.3780	0.000	1	134.3780	0.000	1	133.2800	2.411	2	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	132.1820	0.000	1	132.1820	0.000	1	133.2800	2.411	2	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	130.7250	0.000	1	130.7250	0.000	1	130.7250	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[6a]CH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[6a]CH){2|C<3>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	123.4220	0.000	1	123.4220	0.000	1	123.4220	0.000	1	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.5640	3.333	2	128.5640	11.111	2	128.5640	11.111	2	131.9158	12.961	18	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS){3|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	134.1020	0.000	1	134.1020	0.000	1	134.1020	0.000	1	129.9870	12.772	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCCH)	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	127.6610	0.000	1	127.6610	0.000	1	127.6610	0.000	1	129.9870	12.772	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(SC)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(SC){1|O<1>}	128.1980	0.000	1	128.1980	0.000	1	128.1980	0.000	1	129.9870	12.772	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS){2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	132.3550	0.000	1	132.3550	0.000	1	130.0112	9.560	5	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS){1|H<1>,2|C<3>}	132.8250	0.000	1	132.8250	0.000	1	130.0112	9.560	5	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	126.7410	0.000	1	126.7410	0.000	1	130.0112	9.560	5	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	126.5820	0.000	1	126.5820	0.000	1	130.0112	9.560	5	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS){1|H<1>,2|C<3>}	131.5530	0.000	1	131.5530	0.000	1	130.0112	9.560	5	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CHO){1|H<1>}	132.6610	0.000	1	132.6610	0.000	1	132.6610	0.000	1	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:P-4:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP){2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS){1|H<1>,2|C<3>}	131.9570	0.000	1	131.9570	0.000	1	131.9570	0.000	1	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|H<1>}	128.8835	0.011	2	128.8835	0.000	2	128.8835	0.000	2	129.9008	7.037	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	131.6970	0.898	2	131.6970	0.806	2	131.6970	0.806	2	129.7005	5.671	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHN)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	127.7040	0.512	2	127.7040	0.262	2	127.7040	0.262	2	129.7005	5.671	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:2:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN){1|H<1>,1|O<2>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|O<2>}	135.8600	0.000	1	135.8600	0.000	1	135.8600	0.000	1	130.5553	24.635	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:2:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CO)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CO){2|H<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.9030	2.657	2	127.9030	7.061	2	127.9030	7.061	2	130.5553	24.635	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CN)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CN){2|H<1>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.4320	0.000	1	128.4320	0.000	1	128.4320	0.000	1	128.4320	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.3592	1.111	5	130.3592	1.234	5	130.3592	1.234	5	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.3765	1.133	6	134.3765	1.284	6	134.6444	0.772	33	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.6010	0.502	2	134.6010	0.252	2	134.6444	0.772	33	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.9240	0.919	16	134.9240	0.844	16	134.6444	0.772	33	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.2584	0.445	7	134.3357	0.354	9	134.6444	0.772	33	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|Se<3>,1|H<1>}	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|Se<3>}	134.6060	1.206	2	134.3357	0.354	9	134.6444	0.772	33	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	129.1098	1.183	26	129.1098	1.398	26	129.8191	1.639	54	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	131.1095	0.097	2	130.4778	0.989	28	129.8191	1.639	54	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	130.5005	1.008	24	130.4778	0.989	28	129.8191	1.639	54	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){2|H<1>}	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	129.5740	0.931	2	130.4778	0.989	28	129.8191	1.639	54	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CC)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CC){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H){1|C<3>}	129.2390	0.000	1	129.2390	0.000	1	129.2390	0.000	1	131.5541	6.595	93	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<4>}	131.9860	0.000	1	131.9860	0.000	1	131.9860	0.000	1	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br){1|C<3>}	127.2230	0.000	1	127.2230	0.000	1	127.2230	0.000	1	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	126.2050	0.000	1	126.2050	0.000	1	126.1810	0.001	2	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	126.1570	0.000	1	126.1570	0.000	1	126.1810	0.001	2	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	135.5537	0.507	3	135.5537	0.257	3	135.6021	0.328	8	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCFF)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCFF)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	135.2740	0.000	1	135.2740	0.000	1	135.6021	0.328	8	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	135.7670	0.000	1	135.7670	0.000	1	135.6021	0.328	8	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	135.9590	0.000	1	135.9590	0.000	1	135.6021	0.328	8	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	136.4480	0.000	1	136.4480	0.000	1	135.6021	0.328	8	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	134.7080	0.000	1	134.7080	0.000	1	135.6021	0.328	8	133.0323	16.714	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	126.9110	0.486	2	126.9110	0.237	2	126.9110	0.237	2	126.9110	0.237	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>}	134.9700	0.000	1	134.9700	0.000	1	134.9700	0.000	1	130.1725	46.032	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP)	C(C[5a]C[5a]S[5a])(PO3)(H)2	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP){1|O<1>}	C(C[5a]C[5a]S[5a])(PO3)(H)2	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP){1|O<1>}	125.3750	0.000	1	125.3750	0.000	1	125.3750	0.000	1	130.1725	46.032	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CCHH){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(H){1|C<3>,1|S<4>}	126.8250	0.573	2	126.8250	0.328	2	126.8250	0.328	2	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	128.1950	0.000	1	128.1950	0.000	1	128.1950	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.4270	0.000	1	128.4270	0.000	1	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	128.7950	0.000	1	128.7950	0.000	1	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	128.5480	0.000	1	128.0478	0.667	5	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	127.9227	0.886	4	128.0478	0.667	5	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	129.6330	0.000	1	129.6330	0.000	1	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	129.0910	0.000	1	129.0910	0.000	1	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	127.3770	0.000	1	127.3770	0.000	1	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	128.5730	0.000	1	128.5730	0.000	1	128.3759	0.651	11	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	129.1900	0.000	1	127.9778	1.359	6	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	127.7354	1.122	5	127.9778	1.359	6	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|F<1>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|F<1>}	129.1740	0.000	1	129.9588	4.239	6	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	130.1158	2.262	5	129.9588	4.239	6	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	129.2223	0.713	9	129.2223	0.508	9	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	131.0310	2.745	2	131.0310	7.535	2	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	129.5835	2.214	2	129.5835	4.902	2	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.0238	0.320	4	130.0238	0.103	4	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.4500	0.000	1	129.9168	1.408	26	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.9355	1.207	25	129.9168	1.408	26	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|S<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	131.5230	0.000	1	131.5230	0.000	1	129.6662	1.977	56	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	130.0310	0.000	1	130.0310	0.000	1	130.0310	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.7553	0.587	3	130.7553	0.345	3	130.3732	0.446	5	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	129.8000	0.033	2	129.8000	0.001	2	130.3732	0.446	5	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.7230	0.000	1	130.7230	0.000	1	130.7230	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.5210	0.000	1	130.5210	0.000	1	129.0520	3.111	3	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	128.3175	1.727	2	128.3175	2.984	2	129.0520	3.111	3	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.6555	2.275	2	130.6555	5.175	2	130.1080	2.150	8	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.5525	0.882	4	130.5525	0.778	4	130.1080	2.150	8	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NReCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NReCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.6715	1.422	2	128.6715	2.022	2	130.1080	2.150	8	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|H<1>,2|C<4>}	129.3810	0.000	1	129.3810	0.000	1	129.3810	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:Br-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrCH)	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrCH){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|N<3>}	131.9260	0.000	1	131.9260	0.000	1	131.9260	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(CCHH){2|C<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]O[5a]C)(H){1|H<1>,3|C<4>}	134.8120	0.000	1	134.8120	0.000	1	134.8120	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|O<1>,2|C<4>}	133.8920	0.000	1	133.8920	0.000	1	133.8920	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,1|N<2>,1|N<3>}	132.3150	0.000	1	132.8430	0.558	2	133.1358	0.622	4	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	133.3710	0.000	1	132.8430	0.558	2	133.1358	0.622	4	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|C<3>,1|N<2>,1|N<3>}	133.4285	0.982	2	133.4285	0.965	2	133.1358	0.622	4	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]O[5a])(CC3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.6020	0.000	1	134.6020	0.000	1	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	135.6943	2.268	3	135.6943	5.143	3	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.1320	0.000	1	134.3063	0.301	4	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.3643	0.656	3	134.3063	0.301	4	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|S<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(H){1|C<4>}	134.1520	0.144	2	134.1520	0.021	2	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.9690	0.000	1	133.9690	0.000	1	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.0010	0.000	1	134.0010	0.000	1	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	135.2134	0.467	5	134.8657	0.434	8	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	134.2863	0.524	3	134.8657	0.434	8	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	135.3670	0.000	1	135.3670	0.000	1	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	132.4510	0.000	1	132.4510	0.000	1	134.6331	1.195	22	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5]HH)	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	131.9550	0.000	1	131.9550	0.000	1	131.9550	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.7660	0.150	2	133.7660	0.022	2	133.8740	0.030	4	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.9820	0.144	2	133.9820	0.021	2	133.8740	0.030	4	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.1258	0.309	4	132.1258	0.096	4	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.1750	0.000	1	134.1750	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.4960	0.000	1	133.8010	0.966	2	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|H<1>,1|I<1>}	C(C[5a]C[5a]O[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|I<1>}	133.1060	0.000	1	133.8010	0.966	2	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCdCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCdCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	131.6800	0.000	1	131.6800	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NCoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NCoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.2130	0.000	1	134.2130	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.2750	0.000	1	133.2750	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NNiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NNiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.8750	0.000	1	132.8750	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NPtCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NPtCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.1170	0.000	1	133.1170	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NRuHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]O[5a])(NRuHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.0360	0.000	1	132.0360	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	C(C[5a]C[5a]O[5a])(NReCC)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]O[5a])(NReCC)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	135.3990	0.000	1	135.3990	0.000	1	133.0625	1.302	14	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:P[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CP[6]HH)	C(C[5a]C[5a]O[5a])(P[6]O[6]2O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CP[6]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(P[6]O[6]2O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	132.7940	0.000	1	132.7940	0.000	1	132.7940	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	128.9170	0.000	1	128.9835	0.009	2	128.9835	0.009	2	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){3|C<3>}	129.0500	0.000	1	128.9835	0.009	2	128.9835	0.009	2	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br){2|C<3>}	128.2510	0.000	1	128.2510	0.000	1	128.2510	0.000	1	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	129.8130	0.000	1	128.7400	2.303	2	128.7400	2.303	2	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|O<1>,2|C<3>}	127.6670	0.000	1	128.7400	2.303	2	128.7400	2.303	2	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	128.1505	0.026	2	128.1505	0.001	2	128.1505	0.001	2	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){1|B<3>,1|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	128.9803	1.175	4	128.9803	1.380	4	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	127.9385	1.358	2	128.5190	0.540	8	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){1|S<2>,2|C<3>}	128.4125	0.742	2	128.5190	0.540	8	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){3|C<3>}	128.8625	0.270	4	128.5190	0.540	8	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	129.6700	0.796	6	128.3460	2.075	22	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	127.8494	1.315	16	128.3460	2.075	22	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.0596	1.467	9	128.0596	2.152	9	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H){1|B<3>,2|C<3>}	128.8228	1.515	4	128.8228	2.296	4	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,1|N<3>,1|O<1>}	128.8010	0.000	1	128.8010	0.000	1	128.4232	1.681	48	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|B<3>,1|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	129.4490	0.000	1	129.5820	0.035	2	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	129.7150	0.000	1	129.5820	0.035	2	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|C<4>}	128.0600	0.000	1	128.0600	0.000	1	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.4253	0.126	3	128.4253	0.016	3	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	129.0761	0.866	16	129.0761	0.750	16	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|P<4>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H){1|C<3>}	128.3445	0.204	2	128.3445	0.042	2	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H){1|C<3>}	128.0865	0.269	2	128.0865	0.073	2	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CC[6a]2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|Br<1>,1|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	126.9840	0.041	2	126.9840	0.002	2	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|N<2>,2|N<3>}	129.5290	0.000	1	129.5290	0.000	1	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<2>}	128.6540	0.000	1	129.6406	0.745	10	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	129.7502	0.838	9	129.6406	0.745	10	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	127.3975	0.135	2	127.3975	0.018	2	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	129.6580	0.000	1	129.6580	0.000	1	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.7760	1.502	5	128.7760	2.257	5	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]S[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	124.7720	1.697	2	124.7720	2.880	2	128.7420	1.793	49	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	128.2480	1.408	5	128.2480	1.981	5	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	126.0670	0.921	7	126.4945	2.189	8	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	129.4870	0.000	1	126.4945	2.189	8	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.1105	2.517	2	127.1105	6.333	2	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NMnCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NMnCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	126.3000	0.000	1	126.3000	0.000	1	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NMnCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NMnCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	124.4340	0.000	1	124.4340	0.000	1	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NNiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NNiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.9740	0.000	1	127.9740	0.000	1	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	C(C[5a]C[5a]S[5a])(NReCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]C[5a]S[5a])(NReCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	125.5580	0.000	1	125.5580	0.000	1	126.9307	2.747	19	129.7620	6.136	261	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(CCHH){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|C<4>}	128.4540	1.150	2	128.4540	1.322	2	128.4540	1.322	2	128.9845	15.917	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(SS)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(SS){1|C<4>}	127.3755	0.292	2	127.3755	0.085	2	127.3755	0.085	2	128.9845	15.917	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	126.6910	0.000	1	126.6910	0.000	1	126.6910	0.000	1	128.9845	15.917	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	128.0140	0.000	1	128.0140	0.000	1	128.0140	0.000	1	128.9845	15.917	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF)	C(C[5a]C[5a]O[5a])(CF3)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF){2|C<3>}	C(C[5a]C[5a]O[5a])(CF3)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]){1|H<1>,2|C<3>}	126.8560	0.000	1	126.8560	0.000	1	126.8560	0.000	1	128.9845	15.917	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:Si-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH)	C(C[5a]C[5a]O[5a])(SiC3)(H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH){3|C<3>}	C(C[5a]C[5a]O[5a])(SiC3)(H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	138.6560	0.000	1	138.6560	0.000	1	138.6560	0.000	1	128.9845	15.917	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|C<4>,2|C<3>}	128.5380	0.000	1	128.5380	0.000	1	128.5380	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|N<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2){1|C<4>,2|C<3>}	130.7880	0.000	1	130.7880	0.000	1	130.7880	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	130.5810	0.000	1	130.5810	0.000	1	130.5810	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(NOO){1|C<4>}	130.3165	0.596	2	130.3165	0.355	2	130.6347	0.481	3	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	131.2710	0.000	1	131.2710	0.000	1	130.6347	0.481	3	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	127.7880	3.451	2	127.7880	11.907	2	128.7348	11.352	4	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	129.6815	4.308	2	129.6815	18.562	2	128.7348	11.352	4	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	129.4185	0.622	2	129.4185	0.386	2	129.4185	0.386	2	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS){2|C<4>}	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO){1|C<4>}	130.9650	0.000	1	130.9650	0.000	1	130.9650	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	133.7030	0.000	1	133.7030	0.000	1	133.7030	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	133.9990	0.000	1	134.5547	0.420	3	134.6660	0.330	4	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	134.8325	0.614	2	134.5547	0.420	3	134.6660	0.330	4	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	135.0000	0.000	1	135.0000	0.000	1	134.6660	0.330	4	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CHO){1|C<4>}	134.8870	0.755	2	134.8870	0.570	2	134.5628	2.871	11	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO){1|C<3>}	134.9950	0.000	1	133.8520	1.162	3	134.5628	2.871	11	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO){1|H<1>}	133.2805	0.603	2	133.8520	1.162	3	134.5628	2.871	11	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CCO){1|C<4>}	135.5080	1.527	2	135.5080	2.333	2	134.5628	2.871	11	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]C){1|C<3>}	130.7500	0.000	1	130.7500	0.000	1	134.5628	2.871	11	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CHO){1|C<4>}	136.2040	0.178	2	136.2040	0.032	2	134.5628	2.871	11	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(COO){1|C<3>}	134.6870	0.000	1	134.6870	0.000	1	134.5628	2.871	11	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	134.2500	0.000	1	134.2500	0.000	1	134.2500	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	134.6835	2.016	2	134.6835	4.064	2	134.6835	4.064	2	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHHS)	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHHS){2|C<3>}	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	132.4220	0.000	1	132.4220	0.000	1	132.4220	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHH){1|N<3>,3|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	129.5230	0.000	1	129.5230	0.000	1	129.5230	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CHN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CCHN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CHN){1|H<1>,2|C<3>}	128.4440	0.000	1	128.4440	0.000	1	127.9800	0.431	2	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]S[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	127.5160	0.000	1	127.5160	0.000	1	127.9800	0.431	2	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHH){1|C<4>,3|C<3>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	129.0050	0.148	2	129.0050	0.022	2	129.0050	0.022	2	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CCHH){4|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C){1|C<4>,1|S<2>,5|C<3>}	129.9350	0.000	1	129.9350	0.000	1	129.9350	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CCHH){4|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	129.2687	0.737	6	129.2687	0.543	6	129.2687	0.543	6	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	129.2928	0.504	4	129.2928	0.254	4	129.4335	0.827	8	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	129.5743	1.274	4	129.5743	1.622	4	129.4335	0.827	8	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|C<3>}	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	131.2249	8.217	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5,5a]S)(N[5a]N[5,5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5,5a]S)(N[5a]N[5,5a])(CCHH){2|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]C)(SC[6a]OO){2|C<4>,2|H<1>}	129.0720	0.000	1	129.0720	0.000	1	129.0720	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH){1|C<3>}	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	126.1460	0.000	1	126.1460	0.000	1	126.1460	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH){1|C<3>,1|N<2>}	131.2860	0.000	1	131.2860	0.000	1	131.2860	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN){1|C<4>}	129.8560	0.000	1	129.8560	0.000	1	129.8560	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	133.8180	0.000	1	133.8180	0.000	1	133.8180	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:P[6]-4:	C[5a](C[5a]C[5a,6a]P[6])(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(P[6]O[6]2O)	C[5a](C[5a]C[5a,6a]P[6])(O[5a]C[5a,6a])(CCHH){1|O<1>,2|C<3>,2|O<2>}	C(C[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(P[6]O[6]2O){1|H<1>,2|C<3>,2|C<4>}	135.0520	0.000	1	135.0520	0.000	1	135.0520	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	135.0510	0.000	1	135.0510	0.000	1	135.0510	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CCNN)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH){1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CCNN)	137.8110	0.000	1	137.8110	0.000	1	137.8110	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS)	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	133.6040	0.000	1	133.6040	0.000	1	133.6040	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|O<1>,2|N<3>}	129.8030	0.000	1	129.8030	0.000	1	129.8030	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<2>,1|N<2>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	129.5615	0.706	2	129.1293	1.077	4	129.1293	1.077	4	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<2>,1|N<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	129.6930	0.000	1	129.1293	1.077	4	129.1293	1.077	4	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	127.7010	0.000	1	129.1293	1.077	4	129.1293	1.077	4	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHHS)	C(C[5a]C[5a]S[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|C<4>}	129.4060	0.000	1	129.4060	0.000	1	129.4060	0.000	1	130.9890	10.037	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[5]HO)	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br)	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[5]HO){1|Br<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br){1|Br<1>}	130.3075	0.651	2	130.3075	0.424	2	130.3075	0.424	2	130.3075	0.424	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.0870	0.000	1	134.0870	0.000	1	134.0870	0.000	1	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	132.5820	0.000	1	132.5820	0.000	1	134.0587	1.672	3	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	134.7970	0.270	2	134.7970	0.073	2	134.0587	1.672	3	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.9610	0.000	1	133.9610	0.000	1	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	137.7512	0.422	4	137.7512	0.178	4	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.5980	1.306	3	133.5980	1.706	3	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.3440	0.000	1	134.3440	0.000	1	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	133.4090	0.000	1	133.4090	0.000	1	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.1770	0.854	2	134.1770	0.730	2	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	131.7780	0.000	1	131.7780	0.000	1	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]C)(H){1|C<4>,1|O<2>,2|H<1>}	136.6390	2.106	2	136.6390	4.434	2	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.6808	1.348	5	133.6808	1.817	5	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.5570	0.000	1	132.5570	0.000	1	134.6611	4.298	21	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.2980	0.000	1	132.2980	0.000	1	132.9510	0.250	4	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.5050	0.000	1	133.5050	0.000	1	132.9510	0.250	4	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){1|Cl<1>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|Cl<1>}	133.0005	0.103	2	133.0005	0.011	2	132.9510	0.250	4	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:P-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHOP)	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHOP){2|H<1>}	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	128.6350	0.000	1	128.6350	0.000	1	128.6350	0.000	1	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	130.0133	0.985	3	130.0133	0.970	3	129.6500	0.843	5	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.6340	0.000	1	128.6340	0.000	1	129.6500	0.843	5	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	C(C[5a]C[5a]S[5a])(CF3)(OSn)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){2|H<1>}	C(C[5a]C[5a]S[5a])(CF3)(OSn)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	129.5760	0.000	1	129.5760	0.000	1	129.6500	0.843	5	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:S-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHS)	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHS){2|H<1>}	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.6580	0.000	1	127.6580	0.000	1	127.6580	0.000	1	133.3471	7.294	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO)	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC){1|C<4>,1|O<2>,2|H<1>}	127.5700	1.178	2	127.5700	1.388	2	127.5700	1.388	2	127.5700	1.388	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHO){1|C<4>,3|C<3>}	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	129.6230	0.000	1	129.6230	0.000	1	129.6230	0.000	1	129.6230	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	133.5770	0.000	1	133.5770	0.000	1	133.5735	0.000	2	131.9405	16.266	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	133.5700	0.000	1	133.5700	0.000	1	133.5735	0.000	2	131.9405	16.266	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|C<4>}	134.6740	0.000	1	134.6740	0.000	1	134.6740	0.000	1	131.9405	16.266	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:N-2:H-1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN)	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	125.9410	0.000	1	125.9410	0.000	1	125.9410	0.000	1	131.9405	16.266	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH){1|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	126.6870	0.000	1	126.6870	0.000	1	126.6870	0.000	1	126.6870	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(OS)	C[5a](C[5a]N[5a]O)(O[5a]C[5a])(CCHN){1|C<3>}	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(OS){1|C<3>}	135.9920	0.000	1	135.9920	0.000	1	135.9920	0.000	1	135.9920	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C[6a]-3:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>}	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH){1|C<4>}	130.2990	0.000	1	130.2990	0.000	1	130.2990	0.000	1	130.2990	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CCHN)	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CCHN){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(H)	129.1400	0.355	2	129.1400	0.126	2	129.1400	0.126	2	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.9160	0.000	1	133.9160	0.000	1	133.3520	2.703	3	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.0700	2.220	2	133.0700	4.930	2	133.3520	2.703	3	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	133.9061	1.135	15	133.9617	1.251	16	134.0377	1.153	18	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.7960	0.000	1	133.9617	1.251	16	134.0377	1.153	18	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	134.6455	0.110	2	134.6455	0.012	2	134.0377	1.153	18	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN)	C(C[5a]C[5a]O[5a])(C[5]C[5]2Fe)(NHS)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2Fe)(NHS)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	132.2290	0.000	1	132.2290	0.000	1	132.9475	1.032	2	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.6660	0.000	1	133.6660	0.000	1	132.9475	1.032	2	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHN)	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHN){2|C<3>}	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.3100	0.361	2	128.3100	0.130	2	128.3100	0.130	2	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN){1|H<1>,1|O<2>}	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|O<2>}	128.1440	0.000	1	128.1440	0.000	1	128.0950	0.005	2	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN)	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.0460	0.000	1	128.0460	0.000	1	128.0950	0.005	2	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HN)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HN){2|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.1570	0.000	1	128.1570	0.000	1	128.1570	0.000	1	132.5959	6.432	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H){2|C<3>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS){1|H<1>,2|C<3>}	132.2510	0.000	1	132.2510	0.000	1	132.2510	0.000	1	128.3645	30.210	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN)	C(C[5a]C[5a]S[5a])(CF3)(NHS)(H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN){2|C<3>,2|N<2>}	C(C[5a]C[5a]S[5a])(CF3)(NHS)(H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	124.4780	0.000	1	124.4780	0.000	1	124.4780	0.000	1	128.3645	30.210	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:2:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-4:C-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CO)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CO){2|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	129.0810	0.000	1	129.0810	0.000	1	129.0810	0.000	1	129.0810	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:3:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3)	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	132.4730	0.000	1	132.4730	0.000	1	132.4730	0.000	1	132.4730	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	127.2050	0.000	1	127.2050	0.000	1	127.2050	0.000	1	128.9785	6.291	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH){1|N<3>}	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|N<3>}	130.7520	0.000	1	130.7520	0.000	1	130.7520	0.000	1	128.9785	6.291	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH){1|N<3>}	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	129.6330	0.000	1	129.6330	0.000	1	129.6330	0.000	1	129.6330	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF)	C(C[5a]C[5a]N[5a])(CF3)2(F)	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CF3)2(F)	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	126.9293	1.705	7	126.9293	2.907	7	126.9293	2.907	7	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CCCH){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(Br){1|B<4>}	130.9930	0.000	1	130.9930	0.000	1	130.9930	0.000	1	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	128.5673	1.055	3	128.3802	0.437	8	128.3954	0.518	17	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	128.3903	0.522	3	128.3802	0.437	8	128.3954	0.518	17	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	128.0845	0.091	2	128.3802	0.437	8	128.3954	0.518	17	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	128.0530	1.063	2	128.0530	1.131	2	128.3954	0.518	17	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	128.5106	0.792	7	128.5106	0.627	7	128.3954	0.518	17	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.9010	0.000	1	133.9010	0.000	1	134.5395	1.565	4	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	133.1790	0.000	1	133.1790	0.000	1	134.5395	1.565	4	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	136.0070	0.000	1	136.0070	0.000	1	134.5395	1.565	4	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCCH){1|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	135.0710	0.000	1	135.0710	0.000	1	134.5395	1.565	4	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.7670	0.000	1	134.7670	0.000	1	134.7670	0.000	1	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCCH)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCCH){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	128.2940	1.188	2	128.2940	1.411	2	128.2940	1.411	2	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	126.1850	0.000	1	126.1850	0.000	1	127.8713	2.307	3	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.2970	0.000	1	128.2970	0.000	1	127.8713	2.307	3	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH)	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	129.1320	0.000	1	129.1320	0.000	1	127.8713	2.307	3	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH)	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH){2|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.6080	0.000	1	128.6080	0.000	1	126.2695	10.937	2	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH){2|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	123.9310	0.000	1	123.9310	0.000	1	126.2695	10.937	2	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6]-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]CH)	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]CH){2|H<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	126.5640	0.000	1	126.5640	0.000	1	126.5640	0.000	1	128.8013	7.236	38	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.4530	0.000	1	127.4530	0.000	1	127.4530	0.000	1	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	128.8160	0.000	1	128.8160	0.000	1	128.8160	0.000	1	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|N<3>,2|H<1>,3|C<3>}	128.0910	0.000	1	128.3945	0.184	2	128.3945	0.184	2	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	128.6980	0.000	1	128.3945	0.184	2	128.3945	0.184	2	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH){3|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.0570	1.615	2	128.0570	2.608	2	128.0570	2.608	2	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH)	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH){1|C<4>,3|C<3>}	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	136.3880	0.000	1	136.3880	0.000	1	136.3880	0.000	1	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCCH)	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(NSS)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCCH){1|C<3>}	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)(NSS){1|C<3>,1|S<2>}	134.2500	0.000	1	134.2500	0.000	1	134.2500	0.000	1	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(CCCH)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(CCCH){1|C<2>,1|C<3>}	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(COO){1|C<2>,1|C<3>,1|H<1>}	129.6960	0.000	1	129.6960	0.000	1	129.6960	0.000	1	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCCH)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCCH){1|C<4>,3|C<3>}	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	129.2600	0.000	1	129.2600	0.000	1	129.2600	0.000	1	129.8766	9.194	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCCH){1|P<4>}	128.5540	0.000	1	128.5540	0.000	1	128.5540	0.000	1	128.7438	0.039	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCCH)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCCH){2|S<2>}	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH){1|C<3>,1|S<2>}	128.8600	0.000	1	128.8600	0.000	1	128.8600	0.000	1	128.7438	0.039	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCCH)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCCH){2|S<2>}	C(C[5a]C[5a]S[5a])(CH3)2(H)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH){1|S<2>}	128.7622	0.220	4	128.7622	0.048	4	128.7622	0.048	4	128.7438	0.039	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN){1|C<4>}	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	132.2720	0.000	1	132.2720	0.000	1	130.7265	4.777	2	129.7822	2.578	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN)	C(C[5a]C[5a]N[5a])(CH3)2(NN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(NN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.1810	0.000	1	129.1810	0.000	1	130.7265	4.777	2	129.7822	2.578	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO)	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO){1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.3210	0.000	1	128.3210	0.000	1	128.3210	0.000	1	129.7822	2.578	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:O-2:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO)	C(C[5a]C[5a]N[5a])(CH3)2(OH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(OH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.5685	1.235	2	129.5685	1.526	2	129.5685	1.526	2	129.7822	2.578	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:2:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCCO)	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCCO){1|H<1>,1|O<2>}	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|H<1>}	129.1120	0.000	1	129.1120	0.000	1	129.1120	0.000	1	129.4335	0.207	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:2:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CC[3x6]2O)	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CC[3x6]2O){2|H<1>}	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	129.7550	0.000	1	129.7550	0.000	1	129.7550	0.000	1	129.4335	0.207	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:2:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O)	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O){2|H<1>}	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|H<1>}	134.7890	0.000	1	134.7890	0.000	1	134.7890	0.000	1	134.7890	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:3:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<4>}	134.9255	0.275	2	134.9255	0.076	2	134.9255	0.076	2	134.9255	0.076	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<4>}	126.9392	1.535	4	127.2606	2.283	5	127.2606	2.283	5	127.2606	2.283	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	128.5460	0.000	1	127.2606	2.283	5	127.2606	2.283	5	127.2606	2.283	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:O[5a]-2:N[6]-3:	C[5a](C[5a]O[5a]N[6])(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2)	C[5a](C[5a]O[5a]N[6])(N[5a]C[5a])(CC3){3|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	131.3530	0.000	1	131.3530	0.000	1	131.3530	0.000	1	129.7943	2.079	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	129.0150	0.717	2	129.0150	0.514	2	129.0150	0.514	2	129.7943	2.079	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<2>}	128.4103	2.163	3	128.8412	3.656	6	128.8412	3.656	6	128.8412	3.656	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<3>}	129.2720	1.975	3	128.8412	3.656	6	128.8412	3.656	6	128.8412	3.656	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)(H){1|Pd<4>,2|C<3>}	127.0570	0.000	1	127.0570	0.000	1	127.0570	0.000	1	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	126.4610	0.000	1	126.4610	0.000	1	128.2600	1.128	5	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	128.7098	0.394	4	128.7098	0.155	4	128.2600	1.128	5	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	128.7130	0.655	8	128.9056	0.537	14	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	128.4275	1.228	2	128.9056	0.537	14	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|Pd<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|Pd<4>}	129.5300	0.232	4	128.9056	0.537	14	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	128.3055	0.952	2	128.0421	0.702	25	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	127.9299	0.872	20	128.0421	0.702	25	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<4>}	128.6143	0.242	3	128.0421	0.702	25	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|B<3>}	126.8080	0.000	1	129.1047	1.761	27	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	129.0180	0.000	1	129.1047	1.761	27	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	127.9305	1.218	4	129.1047	1.761	27	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	129.8264	0.430	7	129.1047	1.761	27	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|P<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	127.4830	0.252	2	129.1047	1.761	27	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|Pd<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|Pd<4>}	132.4720	0.000	1	129.1047	1.761	27	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){2|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	129.2779	0.938	11	129.1047	1.761	27	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	129.2370	0.000	1	129.2370	0.000	1	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC3){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	125.9640	0.000	1	125.9640	0.000	1	128.6288	1.387	68	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	121.3660	0.000	2	121.3660	0.000	2	128.5852	8.952	15	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|P<4>}	129.5144	0.635	8	129.5382	0.292	11	128.5852	8.952	15	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|S<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|S<3>}	129.7115	0.005	2	129.5382	0.292	11	128.5852	8.952	15	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|Ir<8>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|Ir<8>}	129.3820	0.000	1	129.5382	0.292	11	128.5852	8.952	15	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|N<3>}	130.5630	0.607	2	130.5630	0.368	2	128.5852	8.952	15	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	128.3140	0.000	1	128.3515	0.003	2	128.3515	0.003	2	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	128.3890	0.000	1	128.3515	0.003	2	128.3515	0.003	2	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3)	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	133.9070	0.000	1	133.9070	0.000	1	133.9070	0.000	1	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC3){1|N<3>}	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(H)	134.7380	0.000	1	134.7380	0.000	1	134.7380	0.000	1	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CC3)	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CC3){1|B<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl){1|C<4>}	131.6590	0.000	1	131.6590	0.000	1	131.6590	0.000	1	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3)	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	129.3142	0.737	4	129.3142	0.544	4	129.8218	1.696	5	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3)	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	131.8520	0.000	1	131.8520	0.000	1	129.8218	1.696	5	128.7880	3.182	99	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN){1|B<4>}	126.2910	0.000	1	126.2910	0.000	1	126.2910	0.000	1	129.8834	26.054	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN){1|C<3>}	128.4270	2.671	2	128.4270	7.137	2	128.4270	7.137	2	129.8834	26.054	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3){1|C<3>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.7150	0.000	1	127.7150	0.000	1	127.7150	0.000	1	129.8834	26.054	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:2:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3){1|C<4>,2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	138.5570	0.000	1	138.5570	0.000	1	138.5570	0.000	1	129.8834	26.054	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC3){2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCH){1|C<3>}	136.4110	0.000	1	136.4110	0.000	1	136.1105	0.181	2	133.9020	6.565	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC3)	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC3){1|C<3>}	C(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO){2|C<3>}	135.8100	0.000	1	135.8100	0.000	1	136.1105	0.181	2	133.9020	6.565	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3)	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3){2|C<4>}	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	131.6390	0.000	1	131.6390	0.000	1	131.6935	0.006	2	133.9020	6.565	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3)	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3){1|Cl<1>,1|C<4>}	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	131.7480	0.000	1	131.7480	0.000	1	131.6935	0.006	2	133.9020	6.565	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH){1|C<3>}	132.5500	0.000	1	132.5500	0.000	1	130.9083	2.729	3	130.7198	1.962	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS){1|C<3>}	129.2460	0.000	1	129.2460	0.000	1	130.9083	2.729	3	130.7198	1.962	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH){1|C<3>}	130.9290	0.000	1	130.9290	0.000	1	130.9083	2.729	3	130.7198	1.962	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC3)	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC3){1|B<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(CH3)3	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3){1|C<4>}	130.1540	0.000	1	130.1540	0.000	1	130.1540	0.000	1	130.7198	1.962	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:2:4:	C[5a]-3:O[5a]-2:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH){1|C<4>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	135.6330	0.000	1	135.6330	0.000	1	135.6330	0.000	1	131.9765	26.740	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH){1|C<4>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	128.3200	0.000	1	128.3200	0.000	1	128.3200	0.000	1	131.9765	26.740	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	131.0110	0.000	1	131.0110	0.000	1	131.0110	0.000	1	128.9135	10.408	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	134.3750	0.000	1	134.3750	0.000	1	134.3750	0.000	1	128.9135	10.408	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH){2|H<1>}	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.3770	0.000	1	127.3770	0.000	1	127.0238	1.177	4	128.9135	10.408	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH){2|H<1>}	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	125.4270	0.000	1	125.4270	0.000	1	127.0238	1.177	4	128.9135	10.408	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH){2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.4420	0.000	1	127.4420	0.000	1	127.0238	1.177	4	128.9135	10.408	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH){2|H<1>}	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	127.8490	0.000	1	127.8490	0.000	1	127.0238	1.177	4	128.9135	10.408	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5,5]HH){1|C<4>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	134.0130	0.000	1	134.0130	0.000	1	134.0130	0.000	1	135.1726	4.116	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	136.9330	0.000	1	136.9330	0.000	1	135.4625	4.927	4	135.1726	4.116	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	136.3990	0.000	1	136.3990	0.000	1	135.4625	4.927	4	135.1726	4.116	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NHH)	132.1560	0.000	1	132.1560	0.000	1	135.4625	4.927	4	135.1726	4.116	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	136.3620	0.000	1	136.3620	0.000	1	135.4625	4.927	4	135.1726	4.116	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C)	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CC[5,5]HH){1|C<3>,1|C<4>,2|O<2>}	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C){2|C<4>}	134.9930	0.000	1	134.9930	0.000	1	134.9930	0.000	1	134.9930	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:2:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5,6]-4:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5,6]HO){2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	131.6900	0.000	1	131.6900	0.000	1	131.6900	0.000	1	131.6900	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:3:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH)	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH){2|C<4>}	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<4>}	133.4470	0.000	1	133.4470	0.000	1	133.4470	0.000	1	133.4470	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH){2|H<1>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.1110	0.000	1	128.1110	0.000	1	128.2675	0.049	2	128.2675	0.049	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH){2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.4240	0.000	1	128.4240	0.000	1	128.2675	0.049	2	128.2675	0.049	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:4:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]CH){1|C<4>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NOO)	136.1130	0.000	1	136.1130	0.000	1	136.1130	0.000	1	136.1130	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:2:4:	4:3:4:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH)	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH){1|C<4>}	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	134.1180	0.000	1	134.1180	0.000	1	134.1180	0.000	1	134.1180	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3){3|S<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(H){1|C<3>,1|S<2>}	123.9290	0.000	1	123.9290	0.000	1	123.9290	0.000	1	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3){3|C<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	125.1270	0.000	1	125.1270	0.000	1	125.7130	0.187	5	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	125.8595	0.325	4	125.8595	0.106	4	125.7130	0.187	5	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<3>}	127.5760	0.000	1	127.8302	0.410	10	127.8302	0.410	10	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	128.0110	1.051	2	127.8302	0.410	10	127.8302	0.410	10	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<4>}	126.5230	0.000	1	127.8302	0.410	10	127.8302	0.410	10	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|O<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<3>}	128.0246	0.355	5	127.8302	0.410	10	127.8302	0.410	10	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){2|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<4>}	128.0580	0.000	1	127.8302	0.410	10	127.8302	0.410	10	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH)	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	124.2000	0.000	1	124.2000	0.000	1	124.2000	0.000	1	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3){1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	128.2290	0.000	1	127.6170	0.749	2	126.3107	2.630	4	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]O[5a]H)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	127.0050	0.000	1	127.6170	0.749	2	126.3107	2.630	4	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	125.0045	0.562	2	125.0045	0.316	2	126.3107	2.630	4	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<4>}	122.3105	0.708	4	122.3105	0.501	4	123.9220	6.677	6	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(H){1|C<3>}	126.5460	0.000	1	126.5460	0.000	1	123.9220	6.677	6	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(CF3){1|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	127.7440	0.000	1	127.7440	0.000	1	123.9220	6.677	6	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	127.2465	1.555	2	127.3420	1.236	3	127.3420	1.236	3	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(CH3){1|Ru<6>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|Ru<6>,1|H<1>}	127.5330	0.000	1	127.3420	1.236	3	127.3420	1.236	3	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	124.4813	2.560	3	125.7217	4.642	6	126.3350	4.616	8	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	126.9620	0.661	3	125.7217	4.642	6	126.3350	4.616	8	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|C<4>}	127.9810	0.000	1	127.9810	0.000	1	126.3350	4.616	8	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	128.3690	0.000	1	128.3690	0.000	1	126.3350	4.616	8	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){1|C<3>,1|C<4>}	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<2>,1|N<3>}	125.2220	0.000	1	123.3620	2.639	3	124.2525	0.883	14	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	122.4320	0.298	2	123.3620	2.639	3	124.2525	0.883	14	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	124.4554	0.522	9	124.4095	0.263	10	124.2525	0.883	14	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|Sn<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|Sn<4>,1|H<1>}	123.9960	0.000	1	124.4095	0.263	10	124.2525	0.883	14	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|N<4>}	125.3540	0.000	1	125.3540	0.000	1	124.2525	0.883	14	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	132.0290	0.000	1	132.0290	0.000	1	132.0290	0.000	1	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	130.1530	0.000	1	130.1530	0.000	1	130.1530	0.000	1	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:O-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	128.8340	0.000	1	128.8340	0.000	1	128.8340	0.000	1	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH){2|C<3>}	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	126.3270	0.000	1	126.3270	0.000	1	126.3270	0.000	1	125.8754	5.170	57	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-2:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CN)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CN){1|C<3>,1|S<2>}	124.3203	0.715	4	124.3203	0.511	4	124.3203	0.511	4	127.1495	3.378	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH){1|C<3>,1|H<1>}	126.3920	0.116	2	126.3920	0.013	2	126.3920	0.013	2	127.1495	3.378	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-2:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<4>}	128.1564	0.623	9	128.1564	0.389	9	128.3161	0.437	11	127.1495	3.378	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-2:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS){1|C<4>}	129.0345	0.039	2	129.0345	0.002	2	128.3161	0.437	11	127.1495	3.378	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO){1|C<3>,1|S<2>}	124.9217	0.312	6	124.9217	0.097	6	124.9217	0.097	6	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3){1|O<1>,4|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.0900	0.000	1	130.0900	0.000	1	130.0900	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a,6a]C[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHN){2|C<3>}	127.3590	0.000	1	127.3590	0.000	1	127.3590	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.2970	0.000	1	130.2970	0.000	1	130.2970	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCO){2|C<3>}	130.0870	0.000	1	130.0870	0.000	1	128.7689	0.512	7	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[4]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[4]O){2|C<3>}	127.8310	0.000	1	127.8310	0.000	1	128.7689	0.512	7	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CNO){2|C<3>}	128.6928	0.325	5	128.6928	0.106	5	128.7689	0.512	7	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	126.2120	0.000	1	127.3290	2.495	2	127.3290	2.495	2	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.4460	0.000	1	127.3290	2.495	2	127.3290	2.495	2	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHS){2|C<3>}	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	125.2010	0.000	1	125.2010	0.000	1	125.2010	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C[5])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	122.4527	0.752	3	122.4527	0.565	3	123.3365	3.501	4	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	125.9880	0.000	1	125.9880	0.000	1	123.3365	3.501	4	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<4>,1|H<1>}	130.7180	0.000	1	130.7180	0.000	1	130.7180	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CF3){1|O<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO){1|H<1>,1|O<2>}	127.6040	0.536	2	127.6040	0.287	2	128.2700	1.474	3	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O){1|H<1>}	129.6020	0.000	1	129.6020	0.000	1	128.2700	1.474	3	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO){2|C<3>}	128.5960	0.420	3	128.5960	0.176	3	128.2167	0.383	7	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	128.8660	0.000	1	128.8660	0.000	1	128.2167	0.383	7	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCN)	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCN){1|C<3>,1|H<1>}	127.7390	0.000	1	127.6210	0.013	3	128.2167	0.383	7	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCN)	C[5a](C[5a]N[5a]C)2(CH3){1|Pt<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCN){1|Pt<4>,1|C<3>}	127.5620	0.071	2	127.6210	0.013	3	128.2167	0.383	7	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	131.1520	0.000	1	131.1520	0.000	1	131.1520	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	127.7490	0.000	1	127.7490	0.000	1	127.7490	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN[5]O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN[5]O){2|H<1>}	127.8080	0.000	1	127.8080	0.000	1	127.8080	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS){1|C<4>}	129.3756	0.535	5	129.3756	0.286	5	129.3756	0.286	5	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO){1|C<3>,1|N<2>}	125.4760	1.959	2	124.3120	5.983	3	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO){1|C<3>,1|N<3>}	121.9840	0.000	1	124.3120	5.983	3	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[5a]O){1|C<3>,1|N<3>}	122.0600	0.000	1	122.0600	0.000	1	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){2|C<3>}	124.6085	1.183	2	124.6085	1.399	2	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){1|C<3>,1|C<4>}	125.3760	0.968	4	125.3760	0.938	4	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|I<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<2>,1|I<1>}	126.5980	0.000	1	123.4660	3.154	8	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|N<2>}	124.0383	1.437	3	123.4660	3.154	8	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|N<3>}	122.4000	0.715	3	123.4660	3.154	8	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|S<2>}	121.8150	0.000	1	123.4660	3.154	8	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){2|H<1>}	124.9196	0.475	9	124.9196	0.226	9	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO){2|H<1>}	125.2887	0.750	3	125.2887	0.562	3	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]H){2|H<1>}	125.2250	0.242	2	125.2250	0.058	2	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]N){2|H<1>}	118.5610	0.000	1	118.5610	0.000	1	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHN)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHN){2|H<1>}	124.7510	0.124	2	124.7510	0.015	2	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){2|H<1>}	126.0310	0.000	1	126.0310	0.000	1	124.3925	2.880	36	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	125.8865	0.209	2	125.8865	0.044	2	125.8865	0.044	2	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NSS)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NSS){1|C<3>,1|H<1>}	125.7360	0.000	1	125.7360	0.000	1	125.7360	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|C<4>}	130.7180	0.000	1	130.7180	0.000	1	130.7180	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|C<4>}	132.5673	0.542	9	132.5673	0.293	9	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H){2|H<1>}	131.2500	0.000	1	131.2500	0.000	1	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	132.6285	0.739	2	132.6285	0.546	2	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|B<4>}	130.6930	0.000	1	130.6930	0.000	1	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN){1|C<4>}	132.9220	0.000	1	132.9220	0.000	1	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO){1|C<4>}	133.0400	0.287	5	133.0400	0.083	5	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNN){1|C<4>}	133.7110	0.000	1	133.7110	0.000	1	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|C<4>}	132.3770	0.000	1	132.3770	0.000	1	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	132.7937	0.603	6	132.7937	0.363	6	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHO){1|N<3>}	133.0130	0.000	1	133.0130	0.000	1	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|N<3>}	134.0396	0.220	5	134.0396	0.049	5	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|N<3>}	134.2176	0.450	13	134.2176	0.203	13	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|O<2>}	134.7950	0.000	1	134.7950	0.000	1	133.2790	0.944	47	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	134.0350	0.000	1	134.0350	0.000	1	134.0350	0.000	1	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	126.4110	6.887	2	126.4110	47.434	2	127.8923	30.300	3	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	130.8550	0.000	1	130.8550	0.000	1	127.8923	30.300	3	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(COO)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	134.1580	0.844	2	134.1580	0.713	2	134.1580	0.713	2	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<3>}	132.1450	0.103	2	132.1450	0.011	2	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCH){1|C<3>}	131.3500	0.000	1	131.3500	0.000	1	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN){1|C<3>}	131.8640	0.000	1	131.8640	0.000	1	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO){1|C<3>}	131.7878	0.511	12	131.7878	0.261	12	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5a]O){1|C<3>}	132.0870	0.000	1	132.0870	0.000	1	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|C<3>}	131.7750	0.000	2	131.7750	0.000	2	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|C<3>}	131.2865	0.924	10	131.2865	0.854	10	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<3>}	131.9783	0.516	6	131.9783	0.267	6	131.6951	0.437	35	129.4214	14.609	171	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3){2|S<2>}	127.1540	0.000	1	127.1540	0.000	1	127.1540	0.000	1	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3)	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3){1|C<3>,1|S<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3){1|O<2>,1|S<4>}	129.1880	0.000	1	129.1880	0.000	1	129.1880	0.000	1	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){2|C<3>}	128.2430	0.967	2	128.2430	0.936	2	128.2430	0.936	2	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:Si-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]Si)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(SiC3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]Si)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(SiC3){2|C<4>}	127.1610	0.000	1	127.1610	0.000	1	127.1610	0.000	1	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO){2|C<3>}	128.3305	0.022	2	128.3305	0.000	2	128.1753	1.365	4	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	128.0200	2.000	2	128.0200	3.999	2	128.1753	1.365	4	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3){1|C<3>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	123.8670	0.186	3	123.8670	0.035	3	123.9452	0.045	5	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	124.0625	0.258	2	124.0625	0.067	2	123.9452	0.045	5	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH)	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH){1|C<4>}	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|H<1>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|H<1>}	129.2303	0.466	6	129.2303	0.217	6	129.2303	0.217	6	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<2>}	127.9786	0.600	11	127.7308	0.503	16	127.3230	1.128	25	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	127.1856	0.666	5	127.7308	0.503	16	127.3230	1.128	25	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	128.5850	0.454	2	128.5850	0.206	2	127.3230	1.128	25	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	125.8563	0.699	3	126.0304	0.298	7	127.3230	1.128	25	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<4>}	126.2670	0.510	3	126.0304	0.298	7	127.3230	1.128	25	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	125.8430	0.000	1	126.0304	0.298	7	127.3230	1.128	25	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	125.6600	0.000	1	125.6600	0.000	1	127.1199	1.812	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN){1|C<3>,1|N<3>}	126.4330	0.017	2	126.4330	0.000	2	127.1199	1.812	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO){1|C<3>,1|N<3>}	126.5690	0.230	3	126.5690	0.053	3	127.1199	1.812	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS){1|C<3>,1|N<3>}	126.8670	0.000	1	126.8670	0.000	1	127.1199	1.812	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	128.5120	0.000	1	128.5120	0.000	1	127.1199	1.812	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O){2|H<1>}	130.5860	0.000	1	130.5860	0.000	1	127.1199	1.812	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	127.0605	0.030	2	127.0605	0.001	2	127.1199	1.812	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC3){1|B<3>,1|C<4>}	126.0640	0.000	1	126.0640	0.000	1	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<2>,1|C<3>}	123.8790	0.000	1	123.0620	1.384	7	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	124.1945	0.661	2	123.0620	1.384	7	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|N<2>}	121.7610	0.000	1	123.0620	1.384	7	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|N<3>}	122.4683	0.971	3	123.0620	1.384	7	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<3>}	124.3380	0.000	1	124.3380	0.000	1	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHN)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHN){2|H<1>}	124.9350	0.041	2	124.9350	0.002	2	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHHS)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	125.2400	0.000	1	125.2400	0.000	1	123.9122	2.003	12	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:Si-4:	C[5a](C[5a]C[5a]Bi)(C[5a]S[5a]Si)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3)	C[5a](C[5a]C[5a]Bi)(C[5a]S[5a]Si)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3){1|Bi<3>,1|C<3>}	124.5420	0.184	2	124.5420	0.034	2	125.0193	0.270	6	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:Si-4:	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiSiCC)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CH3){1|Si<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiSiCC){1|Si<4>,1|H<1>}	125.2580	0.460	4	125.2580	0.212	4	125.0193	0.270	6	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	132.5854	0.180	5	132.6126	0.346	8	132.8611	1.392	16	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	131.4600	0.000	1	132.6126	0.346	8	132.8611	1.392	16	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	133.2570	0.365	2	132.6126	0.346	8	132.8611	1.392	16	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	132.5537	0.052	3	132.5537	0.003	3	132.8611	1.392	16	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|O<1>}	129.9900	0.000	1	129.9900	0.000	1	132.8611	1.392	16	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|N<3>}	134.3065	0.596	4	134.3065	0.355	4	132.8611	1.392	16	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O)	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O){1|C<3>,1|C<4>}	131.3270	0.000	1	131.3270	0.000	1	131.3270	0.000	1	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN){1|C<3>,1|N<2>}	129.9100	0.000	1	129.9100	0.000	1	129.9100	0.000	1	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|P<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|P<4>}	132.4480	0.000	1	131.7185	0.205	11	131.7185	0.205	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<3>}	131.6456	0.404	10	131.7185	0.205	11	131.7185	0.205	11	128.1200	10.115	104	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,3|H<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	126.7700	0.000	2	126.7700	0.000	2	126.7700	0.000	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|C<3>}	124.1200	0.000	1	124.1200	0.000	1	128.1418	5.299	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|C<3>}	129.2440	0.759	2	129.2440	0.577	2	128.1418	5.299	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|N<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|N<2>}	129.0505	0.602	2	129.0505	0.362	2	128.1418	5.299	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]O)(CH3)	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)2(O)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]O)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)2(O){2|C<3>}	119.5775	0.520	2	119.5775	0.270	2	119.5775	0.270	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3)	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3){1|Ga<5>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(H){1|Ga<5>,1|N<3>,2|C<3>}	122.2230	0.000	1	122.2230	0.000	1	122.2230	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br){1|B<4>,1|C<3>}	125.8826	0.593	5	125.6967	0.341	7	125.6967	0.341	7	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br){1|B<4>,1|C<3>}	125.2320	0.188	2	125.6967	0.341	7	125.6967	0.341	7	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	125.8190	0.000	1	125.8190	0.000	1	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	128.1571	0.442	34	125.2387	1.564	301	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	123.9050	0.360	6	125.2387	1.564	301	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.1140	0.000	1	125.2387	1.564	301	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.9564	0.429	5	125.2387	1.564	301	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	124.8285	0.530	244	125.2387	1.564	301	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	124.6393	0.859	11	125.2387	1.564	301	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H){1|B<4>,3|C<3>}	124.5177	1.441	4	124.5177	2.076	4	125.2312	1.566	306	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I){1|B<4>,1|C<3>}	124.6255	0.333	2	125.3479	0.353	15	125.3479	0.353	15	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I){1|B<4>,1|C<3>}	125.4590	0.550	13	125.3479	0.353	15	125.3479	0.353	15	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	123.6530	0.000	1	123.6530	0.000	1	123.2685	0.296	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]S)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]S)(H){2|C<3>}	122.8840	0.000	1	122.8840	0.000	1	123.2685	0.296	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	128.2570	0.016	2	128.2570	0.000	2	128.2570	0.000	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	124.6100	0.000	1	126.0010	3.870	2	126.0010	3.870	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	127.3920	0.000	1	126.0010	3.870	2	126.0010	3.870	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H){2|C<3>}	126.6890	0.000	1	126.6890	0.000	1	127.6029	0.994	11	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.3140	0.000	1	127.3175	0.260	6	127.6029	0.994	11	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.8680	0.000	1	127.3175	0.260	6	127.6029	0.994	11	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.4308	0.590	4	127.3175	0.260	6	127.6029	0.994	11	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(H){2|C<3>}	130.1170	0.000	1	130.1170	0.000	1	127.6029	0.994	11	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	127.6403	0.704	3	127.6403	0.496	3	127.6029	0.994	11	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	126.6170	0.324	2	126.6170	0.105	2	126.6604	9.136	8	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	128.3050	0.000	1	128.3050	0.000	1	126.6604	9.136	8	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	128.0613	0.816	4	126.3488	15.162	5	126.6604	9.136	8	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	119.4990	0.000	1	126.3488	15.162	5	126.6604	9.136	8	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){1|C<3>,1|H<1>}	125.1920	0.000	1	126.1970	2.020	2	126.1970	2.020	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){1|Ni<4>,1|C<3>}	127.2020	0.000	1	126.1970	2.020	2	126.1970	2.020	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	126.6870	0.000	1	126.5515	0.098	4	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|O<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	126.1310	0.000	1	126.5515	0.098	4	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|S<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	126.6940	0.242	2	126.5515	0.098	4	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CF3){1|O<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(H){1|C<3>}	124.5535	0.558	2	124.5535	0.311	2	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	124.2673	0.361	4	124.2404	0.101	5	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>}	124.1330	0.000	1	124.2404	0.101	5	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ag<3>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ag<3>,1|C<3>}	122.3570	0.000	1	124.0629	1.453	19	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cu<3>,1|C<3>}	122.3250	0.000	1	124.0629	1.453	19	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	122.6990	0.000	1	124.0629	1.453	19	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Fe<5>,1|C<3>}	123.3900	0.212	2	124.0629	1.453	19	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<5>,1|C<3>}	123.4350	0.035	2	124.0629	1.453	19	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	124.8002	1.111	10	124.0629	1.453	19	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>}	124.0810	0.281	2	124.0629	1.453	19	124.4570	1.653	30	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){1|C<4>,1|H<1>,2|C<3>}	129.0110	0.000	1	129.0110	0.000	1	129.0110	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	125.8390	0.000	1	125.8390	0.000	1	125.4437	1.382	14	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|O<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H){1|C<3>,1|H<1>}	125.7490	0.000	1	125.7490	0.000	1	125.4437	1.382	14	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|S<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	125.0900	0.682	2	125.0900	0.465	2	125.4437	1.382	14	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|I<1>}	124.7030	0.000	1	124.7030	0.000	1	125.4437	1.382	14	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	125.3900	0.000	1	123.9030	1.889	3	125.4437	1.382	14	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	123.1595	0.680	2	123.9030	1.889	3	125.4437	1.382	14	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|H<1>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<4>}	126.3387	0.386	6	126.3387	0.149	6	125.4437	1.382	14	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3){1|Ni<4>,1|H<1>}	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(H){1|C<4>,1|H<1>}	125.3637	0.729	4	125.3637	0.531	4	125.8162	1.422	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CF3){1|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	127.6260	0.000	1	127.6260	0.000	1	125.8162	1.422	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	128.1030	0.000	1	128.1030	0.000	1	128.1030	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H){4|C<3>}	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){1|Cu<4>,1|C<3>}	128.5295	0.110	2	128.5295	0.012	2	128.5295	0.012	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Al<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Al<4>,1|C<3>}	123.2382	0.289	5	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	128.3495	0.402	4	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	126.3577	1.277	11	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	124.3216	2.371	8	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Fe<5>,1|C<3>}	129.3210	0.888	2	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	123.2865	0.517	2	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	122.8495	0.496	6	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	122.8817	0.582	16	124.4911	5.226	54	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>,1|S<4>}	125.1840	0.000	1	125.1840	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	126.4270	0.000	1	124.8847	1.787	3	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	124.1135	0.081	2	124.8847	1.787	3	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<4>,1|N<2>}	132.1220	0.000	1	132.1220	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	125.9930	0.000	1	125.9930	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|C<4>}	127.0637	0.848	3	127.0637	0.719	3	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|C<3>}	127.0480	0.000	1	125.4360	5.197	2	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|C<4>}	123.8240	0.000	1	125.4360	5.197	2	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<4>}	123.1200	0.000	1	123.1200	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	123.2278	0.695	18	123.2171	0.450	20	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	123.1205	0.556	2	123.2171	0.450	20	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|H<1>}	124.7430	0.596	3	124.7430	0.355	3	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	123.9202	0.620	6	123.9202	0.384	6	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Sn)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|Sn<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Sn)(C[5a]C[5a]C)(H){1|H<1>}	124.9340	0.000	1	124.9340	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	124.1560	0.000	1	124.1560	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	125.5130	0.000	1	125.5130	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	123.8760	0.000	1	124.2080	0.073	4	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	124.2100	0.000	1	124.2080	0.073	4	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	124.3730	0.232	2	124.2080	0.073	4	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	122.4175	0.745	4	122.4175	0.554	4	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	122.1530	0.359	2	122.1530	0.129	2	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	123.1527	1.366	3	123.0208	0.976	5	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	122.8230	0.205	2	123.0208	0.976	5	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|N<3>}	124.6040	0.000	1	124.6040	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(H){1|C<3>}	124.5470	0.000	1	124.5470	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(H){1|C<3>}	125.1920	0.000	1	125.1920	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){3|C<3>}	124.6940	0.000	1	124.6940	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	123.2972	1.919	4	123.2972	3.684	4	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	122.5170	0.137	2	122.5170	0.019	2	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	126.9240	0.000	1	126.9240	0.000	1	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	126.9620	0.000	1	126.1668	0.572	16	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	125.4600	0.000	1	126.1668	0.572	16	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	126.5470	0.049	2	126.1668	0.572	16	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<5>,1|C<3>}	124.6980	0.000	1	126.1668	0.572	16	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<6>,1|C<3>}	126.4437	1.199	4	126.1668	0.572	16	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	126.0820	0.275	5	126.1668	0.572	16	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	126.1350	0.208	2	126.1668	0.572	16	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	124.8510	0.915	2	123.7650	0.857	14	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	122.9890	0.000	1	123.7650	0.857	14	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	122.3670	0.000	1	123.7650	0.857	14	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	124.0882	0.868	5	123.7650	0.857	14	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	123.6810	0.000	1	123.7650	0.857	14	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	123.3825	0.650	4	123.7650	0.857	14	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	122.2750	1.433	2	122.2750	2.052	2	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]C)(H)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CH3){1|Si<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]C)(H){1|Si<4>}	121.6697	0.602	4	121.6697	0.362	4	124.2816	3.807	160	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	125.1310	0.000	1	125.1310	0.000	1	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	126.4710	0.000	1	126.4710	0.000	1	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	126.5205	0.636	4	126.5398	0.305	5	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	126.6170	0.000	1	126.5398	0.305	5	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	125.7530	0.000	1	125.7530	0.000	1	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	127.0200	0.701	2	127.0200	0.492	2	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	127.2070	0.946	2	127.2070	0.895	2	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	127.0790	0.000	1	127.0790	0.000	1	126.5836	0.570	13	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<3>,1|H<1>}	125.0980	0.759	2	125.0980	0.577	2	125.1270	0.296	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	124.4310	0.000	1	124.4310	0.000	1	125.1270	0.296	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	125.2230	0.286	2	125.2230	0.082	2	125.1270	0.296	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3){2|C<4>,3|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	125.6890	0.000	1	125.6890	0.000	1	125.1270	0.296	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	125.4330	0.000	1	125.4330	0.000	1	125.4330	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(O){1|C<4>,1|O<1>,2|C<3>}	122.9985	0.030	2	122.9985	0.001	2	122.9985	0.001	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Br){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	125.4350	2.455	2	125.4350	6.027	2	125.4350	6.027	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	126.1174	0.484	7	126.1174	0.234	7	126.1174	0.234	7	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	126.2000	0.000	1	126.2000	0.000	1	126.2000	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|N<2>,3|C<3>}	125.6995	0.356	2	125.5753	0.110	3	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	125.3270	0.000	1	125.5753	0.110	3	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(H){1|C<3>,1|C<4>}	126.6455	1.525	2	126.6455	2.326	2	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	124.7030	0.000	1	124.7030	0.000	1	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	127.3570	0.000	1	127.3570	0.000	1	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	128.2100	0.000	1	128.8065	0.712	2	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>}	129.4030	0.000	1	128.8065	0.712	2	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CH3){1|Ru<6>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]C)(H){1|H<1>}	128.4980	0.000	1	128.4980	0.000	1	126.8188	2.605	10	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,3|C<3>}	122.7060	0.000	2	122.7060	0.000	2	122.7060	0.000	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CBrHH)	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	126.2240	0.000	1	126.2240	0.000	1	126.2240	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH){1|C<4>}	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	130.5400	0.000	1	130.5400	0.000	1	130.5400	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){1|C<3>,1|H<1>}	131.0640	0.000	1	131.0640	0.000	1	130.5200	1.141	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){1|Ni<4>,1|C<3>}	129.1310	0.000	1	129.1310	0.000	1	130.5200	1.141	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(Br){1|B<4>}	130.2207	0.294	3	130.2207	0.087	3	130.5200	1.141	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3){1|B<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(Br){1|C<4>,2|O<2>}	132.2630	0.000	1	132.2630	0.000	1	130.5200	1.141	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.4195	0.654	2	130.4195	0.428	2	127.7375	4.661	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	126.1563	0.550	3	126.1563	0.302	3	127.7375	4.661	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	127.1170	0.000	1	127.1170	0.000	1	127.7375	4.661	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	127.2640	0.000	1	127.2640	0.000	1	129.1543	2.974	3	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	129.5570	0.000	1	129.5570	0.000	1	129.1543	2.974	3	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	130.6420	0.000	1	130.6420	0.000	1	129.1543	2.974	3	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|H<1>,1|S<4>,2|C<3>}	129.1460	0.000	1	129.1460	0.000	1	129.1460	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Cu)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Cu)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){1|Cu<4>,1|C<3>}	126.0560	0.775	2	126.0560	0.601	2	129.7035	4.445	12	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CH3){1|Br<1>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br){1|C<4>,1|S<4>}	128.3315	0.210	2	128.3315	0.044	2	129.7035	4.445	12	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(Br){1|B<4>,2|C<3>}	130.8350	0.000	1	130.8350	0.000	1	129.7035	4.445	12	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br){1|C<3>}	130.7315	0.192	2	130.9022	1.006	6	129.7035	4.445	12	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br){1|C<4>}	130.9875	1.279	4	130.9022	1.006	6	129.7035	4.445	12	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Br){1|H<1>}	131.4190	0.000	1	131.4190	0.000	1	129.7035	4.445	12	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl){1|B<4>}	128.8110	0.000	1	128.8110	0.000	1	130.2685	4.249	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(Cl){1|H<1>}	131.7260	0.000	1	131.7260	0.000	1	130.2685	4.249	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F){1|C<3>,1|H<1>}	130.7970	0.000	1	130.7970	0.000	1	130.7970	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|C<4>}	129.8980	0.000	1	129.8980	0.000	1	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	129.1690	0.000	1	129.8953	0.530	4	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	130.1373	0.665	3	129.8953	0.530	4	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){2|C<4>}	130.3190	0.000	1	130.3190	0.000	1	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.1168	0.825	15	131.1536	0.657	16	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	131.7060	0.000	1	131.1536	0.657	16	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	131.7670	0.000	1	131.7670	0.000	1	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.7603	1.434	10	130.7603	2.057	10	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	129.1477	0.620	19	129.1477	0.385	19	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>,1|W<8>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>,1|W<8>}	128.0630	0.000	1	128.7003	0.905	35	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	129.4635	0.785	6	128.7003	0.905	35	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	128.5596	0.927	28	128.7003	0.905	35	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	128.6552	0.630	5	128.6552	0.397	5	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	131.0065	0.547	4	131.0065	0.299	4	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	130.8380	1.041	7	130.8380	1.083	7	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	128.2370	0.000	1	128.2370	0.000	1	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|C<4>}	129.2507	0.234	3	129.2507	0.055	3	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	131.6380	0.344	2	130.6971	1.118	135	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	130.3888	1.324	33	130.6971	1.118	135	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	130.7800	0.943	100	130.6971	1.118	135	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	130.4597	0.961	7	130.5609	0.873	8	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,3|C<4>}	131.2690	0.000	1	130.5609	0.873	8	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.6670	0.000	1	132.6670	0.000	1	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	132.2920	0.000	1	132.3837	0.129	7	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.3990	0.391	6	132.3837	0.129	7	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	131.5270	0.048	2	131.5270	0.002	2	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|H<1>}	132.0005	0.294	4	132.0005	0.086	4	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	130.1060	0.626	6	130.1722	0.324	8	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<4>,1|H<1>}	130.0500	0.000	1	130.1722	0.324	8	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){2|H<1>}	130.6920	0.000	1	130.1722	0.324	8	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){2|H<1>}	132.0120	0.000	1	130.9999	11.657	19	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	132.2682	0.368	5	130.9999	11.657	19	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	130.4342	4.042	13	130.9999	11.657	19	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	131.8863	0.197	3	131.8863	0.039	3	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|S<4>}	132.3205	0.644	2	132.3205	0.415	2	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	130.1539	0.877	7	130.2327	0.807	10	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	130.4167	1.119	3	130.2327	0.807	10	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|S<4>}	128.4200	0.000	1	128.4200	0.000	1	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|S<4>}	130.6915	1.307	2	130.6915	1.709	2	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]U)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]U)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>,1|U<8>}	124.6450	0.000	1	124.6450	0.000	1	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]W)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]W)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|W<6>}	127.7090	0.400	2	127.7090	0.160	2	130.3749	2.435	312	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3){1|N<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H){1|C<4>,1|O<1>}	129.9255	0.122	2	129.9255	0.015	2	129.9255	0.015	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){1|Cr<6>,1|O<1>,2|C<3>}	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H){2|C<3>}	128.0710	0.000	1	128.7225	0.849	2	128.7225	0.849	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H){2|C<3>}	129.3740	0.000	1	128.7225	0.849	2	128.7225	0.849	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|C<3>}	129.9640	0.000	1	129.3743	0.270	4	129.3557	0.165	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|F<1>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|N<2>}	129.3905	0.271	2	129.3743	0.270	4	129.3557	0.165	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|C<3>}	128.7520	0.000	1	129.3743	0.270	4	129.3557	0.165	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]H)(H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]H)(H){1|C<3>,1|N<2>}	129.4000	0.000	1	129.4000	0.000	1	129.3557	0.165	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(H){2|C<3>}	129.2370	0.000	1	129.2370	0.000	1	129.3557	0.165	6	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6,6]C[5a])(H)3	C[5a](C[5a]N[5a,6,6]C)2(H)	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	C(C[5a]N[5a,6,6]C[5a])(H)3	C[5a](C[5a]N[5a,6,6]C)2(H){2|B<3>}	130.0135	0.879	2	130.0135	0.773	2	130.0135	0.773	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3)	C(C[5a]N[5a,6,6a]C[5a])(F)3	C[5a](C[5a]N[5a,6,6a]C)2(H)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6,6a]C[5a])(F)3	C[5a](C[5a]N[5a,6,6a]C)2(H){2|B<4>}	127.5760	1.445	2	127.5760	2.089	2	127.5760	2.089	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]C)2(H)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]C)2(H){2|B<4>}	129.2170	0.926	2	129.2170	0.858	2	129.2170	0.858	2	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br){1|B<4>,1|C<3>}	128.5918	0.753	5	128.5918	0.567	5	128.5918	0.567	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	126.7628	0.437	6	126.7628	0.191	6	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	126.8207	0.309	6	126.8207	0.095	6	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	126.5417	0.404	6	126.5417	0.163	6	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.8132	0.586	6	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|C<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.4920	0.112	2	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.9496	0.605	233	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.6579	0.392	20	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.1020	0.139	2	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,3|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	124.4195	0.474	4	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.1305	0.523	2	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	125.9635	0.641	2	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	126.5000	0.000	1	127.8377	0.562	272	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	128.0063	0.455	29	128.0063	0.207	29	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|C<3>,1|C<4>}	130.1943	0.897	3	129.9267	0.823	4	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){2|H<1>,3|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){2|C<4>}	129.1240	0.000	1	129.9267	0.823	4	127.8158	0.634	323	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I){1|B<4>,1|C<3>}	128.2985	0.441	15	128.2985	0.194	15	128.2985	0.194	15	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|O<1>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C)(H){1|H<1>,3|C<3>}	129.6870	0.000	1	129.6870	0.000	1	129.6870	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	126.5040	0.000	1	126.5040	0.000	1	126.2648	0.540	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	126.5000	0.000	1	126.5000	0.000	1	126.2648	0.540	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H){2|C<3>}	125.0120	0.000	1	125.0120	0.000	1	126.2648	0.540	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H)	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H){2|C<3>}	126.6540	0.417	2	126.6540	0.174	2	126.2648	0.540	5	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ag)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ag)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ag<3>,1|C<3>}	127.3980	0.000	1	127.3980	0.000	1	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	128.3930	0.000	1	128.3930	0.000	1	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cu<3>,1|C<3>}	127.6040	0.000	1	127.1890	0.344	2	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	126.7740	0.000	1	127.1890	0.344	2	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Fe<5>,1|C<3>}	126.9475	0.023	2	126.9475	0.001	2	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<5>,1|C<3>}	126.8260	0.020	2	126.8260	0.000	2	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	126.0482	0.383	10	126.0482	0.147	10	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>}	125.3257	2.209	3	125.3257	4.879	3	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|N<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	125.8960	0.000	1	125.8960	0.000	1	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)2(H){1|Ru<9>}	125.8685	0.260	2	125.8685	0.067	2	126.3253	1.046	24	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|O<1>,2|C<4>}	131.0460	0.000	1	131.0460	0.000	1	131.0460	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	129.4300	0.000	1	129.4300	0.000	1	129.4300	0.000	1	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	129.0170	0.496	2	129.0170	0.246	2	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Al<4>,1|C<3>}	127.1547	0.314	6	127.1547	0.098	6	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[4])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[4])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	129.7810	1.021	2	129.7810	1.043	2	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	127.0710	0.313	2	127.0710	0.098	2	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	129.3935	0.661	2	129.3935	0.437	2	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	131.3198	0.595	6	131.0491	0.538	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	130.2370	0.485	2	131.0491	0.538	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	131.2840	2.076	2	130.9468	0.880	13	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	130.9607	0.769	9	130.9468	0.880	13	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<3>}	131.2460	0.000	1	130.9468	0.880	13	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<3>}	129.8480	0.000	1	130.9468	0.880	13	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	126.6574	0.801	8	126.6574	0.642	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mo<11>,1|C<4>}	128.7420	0.548	4	128.5258	0.430	10	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mo<4>,1|C<4>}	128.3817	0.730	6	128.5258	0.430	10	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	126.9672	1.098	4	127.2564	0.858	9	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<5>,1|C<3>}	127.6710	0.000	1	127.2564	0.858	9	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<6>,1|C<3>}	127.4420	0.931	4	127.2564	0.858	9	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	128.1407	0.434	4	128.1407	0.188	4	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	127.4982	0.698	5	127.4982	0.487	5	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	127.9719	0.789	18	127.9719	0.623	18	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	127.6769	0.673	18	127.6769	0.453	18	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]B[5,5]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|B<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]B[5,5]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|N<4>,2|O<2>}	129.0790	0.000	1	129.0790	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	128.2090	0.000	1	128.2090	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	129.6464	1.255	12	129.6142	1.166	25	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	129.6675	0.876	2	129.6142	1.166	25	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	129.5693	0.993	11	129.6142	1.166	25	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	130.0247	0.402	3	130.0247	0.161	3	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	131.5820	0.000	1	130.3485	1.838	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	132.5830	0.000	1	130.3485	1.838	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	130.2470	0.061	4	130.3485	1.838	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|P<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	129.7160	0.000	1	130.3485	1.838	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	127.9190	0.000	1	130.3485	1.838	8	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Co)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Co)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Co<4>}	130.0830	0.000	1	130.0830	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Cr)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Cr)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Cr<6>}	126.6245	0.573	2	126.6245	0.329	2	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Cu)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Cu)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Cu<5>}	128.0260	0.000	1	128.0260	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Fe)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]N[5a]Fe)(C[5a]C[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|Fe<5>,2|C<3>}	127.9660	0.000	1	127.9660	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Mo)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Mo)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Mo<6>}	128.1430	0.850	2	128.1430	0.722	2	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ni)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Ni)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Ni<6>}	127.7600	0.000	1	127.7600	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	130.2720	0.206	2	130.3694	0.840	11	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	130.4526	1.073	8	130.3694	0.840	11	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	129.8980	0.000	1	130.3694	0.840	11	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Pt<4>}	129.1150	0.439	4	129.1150	0.193	4	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|Ru<9>,1|C<3>}	127.2240	0.000	1	127.2240	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Ru<6>}	125.6440	0.000	1	125.6440	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Si<4>}	130.9698	0.736	23	130.9698	0.541	23	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|Zn<5>,1|C<3>}	128.4200	0.000	1	128.4200	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Zn<4>}	130.2750	0.000	1	130.2750	0.000	1	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|Si<5>,1|C<4>,2|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Si<5>}	130.3110	0.000	2	129.0023	1.447	6	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3){1|Si<5>,1|C<4>,3|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(H){1|Si<5>}	128.3480	0.836	4	129.0023	1.447	6	129.0646	2.721	201	127.4396	6.664	1560	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(CH3){1|S<2>,2|O<1>,3|C<3>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a]){1|H<1>,1|S<4>,3|C<3>}	126.6835	0.091	2	126.6835	0.008	2	126.6835	0.008	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	122.9720	0.407	4	124.0763	0.664	15	124.0763	0.664	15	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	124.4779	0.463	11	124.0763	0.664	15	124.0763	0.664	15	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]){1|B<4>,1|C<3>}	124.7135	0.844	2	124.7135	0.712	2	124.7135	0.712	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SeC[6a])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SeC[6a]){1|B<4>,1|C<3>}	127.1270	0.000	1	127.1270	0.000	1	127.1270	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH)	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN){2|C<3>}	124.9680	0.000	1	124.9680	0.000	1	124.9680	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN){2|C<3>}	126.6210	0.376	2	126.6210	0.142	2	126.6210	0.142	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH)	C(C[5a]C[5a]2)(F)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH){4|C<3>}	C(C[5a]C[5a]2)(F)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	128.1755	0.528	2	128.1755	0.279	2	128.1755	0.279	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH)	C(C[5a]C[5a]2)(F)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH){4|C<3>}	C(C[5a]C[5a]2)(F)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	126.9180	0.577	2	126.9180	0.333	2	126.9180	0.333	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	125.1330	0.000	1	125.1330	0.000	1	124.4903	1.879	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<2>,4|H<1>}	125.6660	0.000	1	125.6660	0.000	1	124.4903	1.879	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	123.5810	1.479	2	123.5810	2.188	2	124.4903	1.879	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	124.9550	0.000	1	124.9550	0.000	1	124.9550	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|I<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN){1|C<3>}	122.6700	0.000	1	122.6700	0.000	1	122.9815	0.194	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|H<1>}	123.2930	0.000	1	123.2930	0.000	1	122.9815	0.194	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC){1|C<4>,1|H<1>}	125.7340	1.693	2	125.7340	2.866	2	126.4352	1.985	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC){2|H<1>}	126.3870	0.000	1	126.3870	0.000	1	126.4352	1.985	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OH)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OH){2|H<1>}	127.8860	0.000	1	127.8860	0.000	1	126.4352	1.985	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	123.6560	0.000	1	123.6560	0.000	1	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	124.7080	0.000	1	124.6577	0.007	3	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	124.7010	0.000	1	124.6577	0.007	3	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	124.5640	0.000	1	124.6577	0.007	3	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	125.1600	0.000	1	125.1600	0.000	1	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	125.1350	0.000	1	125.1350	0.000	1	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	124.1565	0.026	2	125.4416	0.768	10	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	126.2180	0.000	1	125.4416	0.768	10	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	124.7060	0.000	1	125.4416	0.768	10	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	126.1200	0.192	2	125.4416	0.768	10	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	125.7348	0.623	4	125.4416	0.768	10	125.1462	0.716	16	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	129.2610	0.000	1	129.2610	0.000	1	130.6647	1.247	6	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	130.9550	0.000	1	130.9550	0.000	1	130.6647	1.247	6	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.3227	1.035	3	130.9430	1.290	4	130.6647	1.247	6	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	129.8040	0.000	1	130.9430	1.290	4	130.6647	1.247	6	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3){5|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	128.0443	0.439	4	128.0443	0.193	4	127.9833	0.929	12	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	126.3780	0.000	1	127.5212	1.028	6	127.9833	0.929	12	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	129.0210	0.000	1	127.5212	1.028	6	127.9833	0.929	12	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	126.8905	0.511	2	127.5212	1.028	6	127.9833	0.929	12	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.9735	0.343	2	127.5212	1.028	6	127.9833	0.929	12	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	129.2360	0.000	1	129.2480	0.000	2	127.9833	0.929	12	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	129.2600	0.000	1	129.2480	0.000	2	127.9833	0.929	12	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	123.6910	0.844	2	123.6910	0.713	2	124.9675	1.610	13	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3){1|C<4>,1|S<2>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	124.3525	1.255	2	124.3525	1.575	2	124.9675	1.610	13	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	124.6095	0.837	4	124.6095	0.701	4	124.9675	1.610	13	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3){2|C<4>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	124.2830	0.000	1	124.2830	0.000	1	124.9675	1.610	13	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|N<2>,3|H<1>}	126.5075	0.616	2	126.4423	0.410	4	124.9675	1.610	13	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	126.3770	0.914	2	126.4423	0.410	4	124.9675	1.610	13	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	126.0970	0.000	1	126.0970	0.000	1	126.0970	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	125.7120	0.000	2	125.7120	0.000	2	125.6227	0.420	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH){1|C<3>}	124.7500	0.000	1	124.7500	0.000	1	125.6227	0.420	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC){1|C<3>}	126.3170	0.000	1	126.3170	0.000	1	125.6227	0.420	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])2(CH3){1|H<1>,2|C<3>,2|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	128.8030	0.000	1	128.8030	0.000	1	128.8030	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	128.3150	0.000	1	128.3150	0.000	1	128.3150	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	123.6615	2.227	2	123.6615	4.958	2	123.6615	4.958	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	124.9244	0.338	7	124.9244	0.114	7	124.9244	0.114	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(NC[5a])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(NC[5a]){1|C<3>,1|C<4>}	123.4145	0.742	4	123.4145	0.551	4	123.6248	0.634	5	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(NC[5a]){1|C<3>,1|H<1>}	124.4660	0.000	1	124.4660	0.000	1	123.6248	0.634	5	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3){4|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	131.3860	0.000	1	131.3860	0.000	1	131.3860	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	129.9270	0.045	2	129.9270	0.002	2	128.4977	4.022	8	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){1|O<2>,3|C<3>}	130.6720	0.000	1	130.6720	0.000	1	128.4977	4.022	8	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	130.8420	0.000	1	130.8420	0.000	1	128.4977	4.022	8	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|H<1>,1|S<4>,2|C<3>}	126.8115	0.180	2	126.8115	0.033	2	128.4977	4.022	8	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	126.4955	0.322	2	126.4955	0.104	2	128.4977	4.022	8	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:I-2:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(IC[6a])	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(IC[6a]){1|H<1>,3|C<3>}	131.2110	0.320	2	131.2110	0.102	2	131.2110	0.102	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN){1|C<4>,1|H<1>,2|C<3>}	128.3287	0.468	6	128.3287	0.219	6	128.3287	0.219	6	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|C<4>,1|H<1>,2|C<3>}	129.6560	0.000	1	129.6560	0.000	1	129.6560	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC){1|C<4>}	129.8340	0.000	1	129.8340	0.000	1	129.8340	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NN)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NN){2|C<4>}	129.4480	0.000	1	129.4480	0.000	1	128.4247	0.570	121	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	128.3003	0.522	114	128.3003	0.273	114	128.4247	0.570	121	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5]){1|C<3>,1|C<4>}	129.1970	0.000	1	129.1970	0.000	1	128.4247	0.570	121	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN){1|C<4>}	130.4007	0.457	3	130.4007	0.209	3	128.4247	0.570	121	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NO){1|H<1>}	131.6555	1.090	2	131.6555	1.187	2	128.4247	0.570	121	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	131.7660	0.000	1	131.7660	0.000	1	130.9317	1.396	11	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	131.2723	0.197	3	131.6055	0.632	6	130.9317	1.396	11	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	132.8860	0.000	1	131.6055	0.632	6	130.9317	1.396	11	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|N<3>,3|C<3>}	131.4650	1.034	2	131.6055	0.632	6	130.9317	1.396	11	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,1|O<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|N<2>,2|C<3>}	129.7125	0.692	4	129.7125	0.479	4	130.9317	1.396	11	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	130.9660	0.342	2	130.9660	0.117	2	130.9660	0.117	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,1|S<4>,2|C<3>}	130.0710	0.000	1	130.0710	0.000	1	130.4116	0.414	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a])	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]){1|C<3>,1|H<1>}	130.3913	0.595	3	130.1868	0.404	4	130.4116	0.414	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a])	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]){1|C<4>,1|H<1>}	129.5730	0.000	1	130.1868	0.404	4	130.4116	0.414	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5])	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5]){1|H<1>}	130.7280	0.000	1	130.7280	0.000	1	130.4116	0.414	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5a])	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5a]){1|H<1>}	131.3350	0.000	1	131.3350	0.000	1	130.4116	0.414	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a]Se)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SeC[5])	C[5a](C[5a]C[5a]Se)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SeC[5]){1|H<1>}	130.5100	0.000	1	130.5100	0.000	1	130.5100	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	133.0240	0.000	1	133.0240	0.000	1	133.1030	0.160	3	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	132.7490	0.000	1	132.7490	0.000	1	133.1030	0.160	3	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	133.5360	0.000	1	133.5360	0.000	1	133.1030	0.160	3	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	127.1362	0.870	13	127.0493	0.726	15	127.0493	0.726	15	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	126.4840	0.584	2	127.0493	0.726	15	127.0493	0.726	15	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]){1|B<4>,1|C<3>}	128.2815	0.186	2	128.2815	0.035	2	128.2815	0.035	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:Se-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Se)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SeC[6a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Se)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SeC[6a]){1|B<4>,1|C<3>}	129.4300	0.000	1	129.4300	0.000	1	129.4300	0.000	1	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	131.9350	1.159	4	131.9350	1.343	4	131.9350	1.343	4	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){4|C<3>}	129.4130	0.000	1	129.4130	0.000	1	129.1860	0.405	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	129.1482	0.689	6	129.1482	0.474	6	129.1860	0.405	7	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NN){1|C<3>}	128.7748	1.253	6	128.7748	1.569	6	128.7748	1.569	6	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](N[5a]N[5a]Re)(C[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5])	C[5a](N[5a]N[5a]Re)(C[5a]C[5a]S)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(SC[5]){1|Re<6>}	126.4040	0.417	2	126.4040	0.174	2	126.4040	0.174	2	127.7237	4.903	307	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H){2|C<3>}	126.2025	0.697	2	126.0035	0.272	4	126.0035	0.272	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H){1|C<3>,1|C<4>}	125.8045	0.416	2	126.0035	0.272	4	126.0035	0.272	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]C)(CC[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]C)(CC[5a]H){2|C<3>}	124.2825	1.470	2	124.2825	2.161	2	124.2825	2.161	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCH)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCH){1|Ga<5>,1|H<1>,2|C<3>}	128.8245	0.284	2	128.8245	0.080	2	128.8245	0.080	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH){1|B<4>,1|C<3>}	124.0270	0.000	1	125.1963	0.548	7	125.4761	1.517	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH){1|B<4>,1|C<3>}	125.3912	0.582	6	125.1963	0.548	7	125.4761	1.517	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHN)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHN){1|B<4>,1|C<3>}	126.1405	0.076	2	126.1405	0.006	2	125.4761	1.517	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHO){1|B<4>,1|C<3>}	124.9386	0.850	9	124.9386	0.722	9	125.4761	1.517	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO){1|B<4>,1|C<3>}	129.4350	0.000	1	127.2987	3.639	3	125.4761	1.517	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO){1|B<4>,1|C<3>}	126.2305	0.657	2	127.2987	3.639	3	125.4761	1.517	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3){1|B<4>,1|C<4>,4|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2){1|B<4>,2|H<1>,3|C<3>}	125.5140	0.000	1	125.5140	0.000	1	125.5140	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	128.6420	0.058	2	126.5493	1.634	11	126.5493	1.634	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	128.0360	0.000	1	126.5493	1.634	11	126.5493	1.634	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,1|C<3>,2|H<1>,2|N<2>}	125.9335	0.021	2	126.5493	1.634	11	126.5493	1.634	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	125.8092	0.514	6	126.5493	1.634	11	126.5493	1.634	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H){1|B<4>,1|C<3>}	124.3895	0.421	2	124.3895	0.177	2	124.7987	0.591	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NOO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NOO){1|B<4>,1|C<3>}	125.6170	0.000	1	125.6170	0.000	1	124.7987	0.591	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C){1|B<4>,1|H<1>,4|C<3>}	124.4320	0.000	1	124.4320	0.000	1	124.4320	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CCO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CCO){2|C<3>}	130.9460	0.000	1	130.9460	0.000	1	129.7410	2.904	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(CCO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(CCO){2|C<3>}	128.5360	0.000	1	128.5360	0.000	1	129.7410	2.904	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.3328	0.994	4	128.3328	0.989	4	128.3328	0.989	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|B<4>,5|C<3>}	128.4490	0.000	1	128.4490	0.000	1	128.1717	0.064	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	128.0330	0.113	2	128.0330	0.013	2	128.1717	0.064	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	127.5880	0.004	2	127.5880	0.000	2	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H){2|C<3>}	127.5260	0.000	1	127.5260	0.000	1	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHO){2|C<3>}	127.1460	0.000	1	127.1460	0.000	1	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO){2|C<3>}	129.0470	0.919	2	129.0470	0.845	2	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO){2|C<3>}	130.3620	0.895	2	130.3620	0.801	2	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CHN){2|C<3>}	126.8260	0.000	1	126.8260	0.000	1	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO){2|C<3>}	130.2490	0.000	1	130.2490	0.000	1	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	128.6880	0.000	1	128.9150	0.103	2	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	129.1420	0.000	1	128.9150	0.103	2	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	127.4645	0.006	2	127.4645	0.000	2	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]O){2|C<3>}	127.3390	0.000	1	127.3390	0.000	1	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO){2|C<3>}	127.5535	0.025	2	127.5535	0.001	2	128.2909	1.530	17	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	128.4300	0.000	1	128.4300	0.000	1	128.4300	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.4491	0.632	14	127.4491	0.399	14	127.5297	0.349	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.8590	0.068	2	127.8117	0.111	4	127.5297	0.349	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.7645	0.565	2	127.8117	0.111	4	127.5297	0.349	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	127.2650	0.000	1	127.2650	0.000	1	127.2650	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	128.0310	0.000	1	128.0310	0.000	1	127.9673	0.011	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	127.9355	0.129	2	127.9355	0.017	2	127.9673	0.011	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2){2|C<3>}	127.8388	0.540	5	127.8388	0.291	5	127.8388	0.291	5	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	127.7720	0.000	1	127.7560	0.084	5	127.6140	0.188	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	127.7520	0.334	4	127.7560	0.084	5	127.6140	0.188	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|S<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,1|N<2>,4|C<3>}	126.9040	0.000	1	126.9040	0.000	1	127.6140	0.188	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	128.3460	0.000	1	128.3460	0.000	1	128.3460	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(CCH){1|H<1>,2|C<3>,2|C<4>}	127.8330	0.000	1	127.8330	0.000	1	127.8265	0.000	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCO){2|C<3>,2|N<2>}	127.8200	0.000	1	127.8200	0.000	1	127.8265	0.000	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH)	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	128.3840	0.000	1	128.3840	0.000	1	128.3840	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3){2|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){4|C<3>}	125.4860	0.000	1	125.4860	0.000	1	125.4860	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	125.8800	0.000	1	125.8800	0.000	1	125.8800	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NOO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3){4|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NOO){4|C<3>}	126.5730	0.000	1	126.5730	0.000	1	126.5730	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	127.5860	0.000	1	127.5860	0.000	1	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ag)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ag<3>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ag)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	130.6420	0.000	1	130.6420	0.000	1	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	130.4880	0.000	1	130.7130	0.101	2	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	130.9380	0.000	1	130.7130	0.101	2	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	129.7740	0.363	2	129.7740	0.132	2	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	129.6850	0.164	2	129.6850	0.027	2	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.3306	1.221	10	128.3306	1.491	10	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	129.0760	0.096	2	129.0760	0.009	2	129.0015	1.626	20	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	127.8145	0.753	4	127.8145	0.567	4	127.8145	0.567	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a]2)(F)3	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.6860	0.000	1	128.6860	0.000	1	128.6860	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3){2|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){4|C<3>}	125.2250	0.000	1	125.2250	0.000	1	125.2250	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	129.2435	0.904	2	129.2435	0.818	2	129.2435	0.818	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3){4|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	125.6650	0.000	1	125.6650	0.000	1	125.6650	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	127.1672	1.284	8	127.1672	1.650	8	127.1672	1.650	8	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[4]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[4]C[4,6]C[4])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[4]C[4,6]C[4])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	125.1920	0.000	1	125.1920	0.000	1	125.1920	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	126.0640	0.168	2	126.0640	0.028	2	126.4007	0.354	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	127.0740	0.000	1	127.0740	0.000	1	126.4007	0.354	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH){1|C<3>,1|H<1>}	126.8085	0.268	2	126.8085	0.072	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	129.4370	0.000	1	128.7861	1.547	7	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	128.0708	1.020	4	128.7861	1.547	7	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|Pd<4>,1|C<3>}	129.8915	1.115	2	128.7861	1.547	7	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	127.8365	1.384	2	127.2423	0.593	11	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|O<2>}	126.4020	0.000	1	127.2423	0.593	11	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	127.1988	0.608	8	127.2423	0.593	11	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	127.2560	0.000	1	127.2560	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO){2|H<1>}	127.3740	0.000	1	127.3740	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	127.8670	0.000	1	127.8670	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	127.4655	0.336	2	127.4655	0.113	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[3]O)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[3]O){1|H<1>}	128.4190	0.000	1	128.4190	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CNO){1|H<1>}	129.0395	0.739	2	129.0395	0.546	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCC){1|C<4>}	124.2015	0.610	2	124.2015	0.372	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O){1|C<4>}	123.9100	0.000	1	123.9100	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CCO){1|C<3>}	125.1580	0.680	3	125.1580	0.462	3	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]N){1|C<4>}	123.8910	0.000	1	123.8910	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO){1|C<4>}	125.4110	0.000	1	125.5117	0.016	3	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO){1|C<4>}	125.5620	0.133	2	125.5117	0.016	3	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<3>}	123.3862	1.193	5	123.8993	1.731	7	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<3>}	125.1820	0.293	2	123.8993	1.731	7	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|S<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CCO){1|C<3>}	126.4970	0.000	1	126.4970	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(COO){3|C<3>}	124.0320	1.211	2	124.0320	1.465	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|H<1>}	126.3940	0.030	2	126.3940	0.001	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	126.2790	0.331	2	126.2790	0.110	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	126.6000	0.000	1	126.6000	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){4|C<3>}	126.6790	0.000	1	126.6790	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO){1|C<3>}	128.1940	0.000	1	128.1940	0.000	1	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(COO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(COO){1|C<3>}	126.7485	0.400	2	126.7485	0.160	2	126.4754	3.374	57	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3){2|C<4>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	124.1060	0.000	1	124.1060	0.000	1	124.1060	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.6710	0.000	1	124.6710	0.000	1	124.7302	3.613	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	127.3240	0.000	1	127.3240	0.000	1	124.7302	3.613	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3){1|C<4>,1|S<2>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C){4|C<3>}	123.4630	0.946	2	123.4630	0.895	2	124.7302	3.613	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.3880	0.000	1	128.3880	0.000	1	126.3661	0.876	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	126.6230	0.049	2	126.6230	0.002	2	126.3661	0.876	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){6|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.9330	0.000	1	124.9330	0.000	1	126.3661	0.876	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3){5|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	125.4087	0.395	4	125.4087	0.156	4	126.3661	0.876	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	126.0810	0.000	1	126.0810	0.000	1	126.3661	0.876	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	125.8175	0.069	2	125.8175	0.005	2	126.3661	0.876	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	126.9530	0.480	7	126.9530	0.230	7	126.3661	0.876	18	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	127.8980	0.185	2	127.8980	0.034	2	127.1990	0.427	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	126.9228	0.637	10	126.9228	0.406	10	127.1990	0.427	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	127.3875	0.633	8	127.3875	0.401	8	127.1990	0.427	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	127.0540	0.000	1	127.0540	0.000	1	127.1990	0.427	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	126.1710	0.380	2	126.1710	0.145	2	127.3733	2.814	15	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	124.3530	0.000	1	124.3530	0.000	1	127.3733	2.814	15	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	126.6562	0.567	4	126.7129	0.218	7	127.3733	2.814	15	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	126.7883	0.394	3	126.7129	0.218	7	127.3733	2.814	15	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	129.1135	0.052	2	129.0435	0.126	4	127.3733	2.814	15	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	128.9735	0.596	2	129.0435	0.126	4	127.3733	2.814	15	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C){1|O<1>,2|C<3>,2|H<1>}	130.7410	0.000	1	130.7410	0.000	1	127.3733	2.814	15	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	128.4610	0.000	1	128.4610	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|C<4>}	124.3347	0.839	4	124.3347	0.704	4	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO){2|C<4>}	128.1955	0.346	2	128.1955	0.120	2	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|C<4>}	129.0050	0.222	2	129.0050	0.049	2	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	124.6795	0.742	12	124.6639	1.092	16	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){2|C<3>}	124.6170	1.854	4	124.6639	1.092	16	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C){2|C<4>}	127.1973	0.769	6	127.1973	0.592	6	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|C<4>}	126.3775	0.204	2	126.3775	0.042	2	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	124.3843	0.682	3	124.8686	0.512	8	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	124.5610	0.000	1	124.8686	0.512	8	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){2|C<4>}	125.3088	0.600	4	124.8686	0.512	8	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O){2|C<4>}	126.6660	1.693	2	126.6660	2.866	2	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	128.0907	0.509	7	127.6411	1.008	9	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	126.0675	0.378	2	127.6411	1.008	9	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN){1|C<3>,1|C<4>}	125.9068	1.127	5	125.9068	1.270	5	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO){1|C<3>,1|C<4>}	126.2980	0.472	3	126.3845	0.179	4	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO){2|C<4>}	126.6440	0.000	1	126.3845	0.179	4	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHS){2|C<4>}	125.1250	0.000	1	125.1250	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO){2|C<4>}	127.9417	0.573	4	128.2413	0.414	6	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO){1|C<4>,1|H<1>}	128.8405	0.073	2	128.2413	0.414	6	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<2>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<2>,1|C<4>}	128.8060	0.000	1	126.9337	0.890	24	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	127.3640	0.287	5	126.9337	0.890	24	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<3>}	124.9900	0.000	1	126.9337	0.890	24	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	126.3689	0.896	9	126.9337	0.890	24	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<4>}	127.2001	0.377	7	126.9337	0.890	24	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>}	128.0710	0.000	1	126.9337	0.890	24	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COS){1|C<4>,1|H<1>}	127.8630	0.000	1	127.8630	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(CCO){2|C<3>}	126.7390	0.000	1	126.7390	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	127.0230	0.000	1	127.0230	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	124.4398	0.395	4	124.4398	0.156	4	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O){1|C<4>,1|H<1>}	129.0350	0.000	1	129.0350	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>}	129.0755	0.392	2	129.0755	0.154	2	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN){1|C<4>,1|H<1>}	125.8708	0.876	4	125.8708	0.768	4	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[6]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[6]H){1|C<4>,1|H<1>}	126.8080	0.000	1	126.8080	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>}	127.8123	0.448	3	127.8123	0.200	3	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCH){1|C<3>}	125.1430	0.000	1	125.1430	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCO)	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCO){1|C<3>}	128.4670	0.000	1	128.4670	0.000	1	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(COO){1|C<4>}	127.7945	0.517	2	127.7945	0.267	2	126.4681	2.477	114	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Cu<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|Cu<5>,2|C<4>,3|C<3>}	127.6310	0.000	1	126.9507	0.351	3	127.5042	0.522	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Cu<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Cu)(C[5a]C[5a]C){2|C<4>,3|C<3>}	126.6105	0.090	2	126.9507	0.351	3	127.5042	0.522	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Fe<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Fe)(C[5a]C[5a]C){2|C<4>,3|C<3>}	127.6190	0.749	6	127.7117	0.465	8	127.5042	0.522	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Fe<6>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Fe)(C[5a]C[5a]C){2|C<4>,3|C<3>}	127.9900	0.492	2	127.7117	0.465	8	127.5042	0.522	11	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	127.3895	0.343	2	127.3895	0.118	2	127.2251	0.534	10	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	126.8580	0.000	1	126.5500	0.190	2	127.2251	0.534	10	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>,3|C<3>}	126.2420	0.000	1	126.5500	0.190	2	127.2251	0.534	10	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	127.2105	0.555	4	127.2105	0.308	4	127.2251	0.534	10	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.7580	0.000	1	126.7580	0.000	1	127.2251	0.534	10	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	128.7720	0.000	1	128.7720	0.000	1	127.2251	0.534	10	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.1170	0.049	2	128.6841	1.112	7	128.5196	0.554	14	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	129.1110	0.000	1	128.6841	1.112	7	128.5196	0.554	14	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.8610	1.381	4	128.6841	1.112	7	128.5196	0.554	14	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.3364	0.191	5	128.3364	0.036	5	128.5196	0.554	14	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.4015	0.021	2	128.4015	0.000	2	128.5196	0.554	14	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<2>,4|C<3>}	123.5890	0.707	2	123.5890	0.500	2	125.1485	3.592	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C){1|O<2>,2|H<1>,3|C<3>}	126.7775	1.333	2	126.7775	1.777	2	125.1485	3.592	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|O<2>}	126.7380	0.000	1	126.7380	0.000	1	125.1485	3.592	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){2|C<4>,3|C<3>}	123.4200	0.000	1	123.4200	0.000	1	125.1485	3.592	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(CH3){1|H<1>,2|C<3>,2|N<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H){1|H<1>,3|C<3>}	126.7010	0.000	1	126.7010	0.000	1	126.7010	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3){1|B<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	126.8508	0.423	8	126.8508	0.179	8	126.8644	0.158	9	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3){1|B<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){1|B<4>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	126.9740	0.000	1	126.9740	0.000	1	126.8644	0.158	9	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(NHH){1|C<4>,1|N<3>,3|C<3>}	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	126.4480	0.000	1	126.4480	0.000	1	127.3070	1.476	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	128.1660	0.000	1	128.1660	0.000	1	127.3070	1.476	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	127.1250	0.000	1	127.1250	0.000	1	127.1250	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	129.4317	0.579	6	129.4317	0.335	6	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	128.2552	0.605	4	127.8903	1.120	8	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	127.5252	1.375	4	127.8903	1.120	8	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	129.7959	0.496	8	129.7959	0.246	8	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	127.9860	1.423	2	127.9860	2.024	2	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	129.9310	0.613	4	129.9310	0.376	4	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ru<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	129.6080	0.075	2	129.6080	0.006	2	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	129.6960	0.878	6	129.5739	0.406	34	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	130.0412	0.250	8	129.5739	0.406	34	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	129.3503	0.574	20	129.5739	0.406	34	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Al<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	130.6375	0.251	6	130.6375	0.063	6	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	131.0383	0.936	6	131.0383	0.877	6	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	130.7930	0.642	2	130.7930	0.412	2	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	130.5985	0.484	6	130.8960	0.450	22	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	131.0076	0.709	16	130.8960	0.450	22	129.8986	1.229	100	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|Br<1>,1|C<4>}	127.6825	0.453	2	127.6825	0.205	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Co<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	125.4273	0.543	4	125.4273	0.295	4	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.8155	0.203	2	124.8155	0.041	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.3135	0.215	6	125.2634	0.902	16	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	125.8333	0.718	10	125.2634	0.902	16	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CHN){1|C<3>,1|C<4>}	126.4570	0.351	3	126.4570	0.123	3	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(COO){1|C<3>,1|C<4>}	127.5980	0.328	4	127.5980	0.107	4	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>}	124.8489	0.566	8	124.8489	0.320	8	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.3135	0.503	11	125.2460	0.240	13	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.8745	0.115	2	125.2460	0.240	13	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.9090	0.068	2	124.9090	0.005	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Li<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	126.6295	2.287	2	126.6295	5.233	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CCO){1|C<3>,1|C<4>}	126.9835	0.333	2	126.9835	0.111	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	125.1140	0.262	6	125.1140	0.068	6	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.8570	0.487	8	124.8570	0.237	8	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CN[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CN[5a]H){1|C<3>,1|C<4>}	125.4020	1.044	2	125.4020	1.089	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.8397	1.039	6	124.8397	1.079	6	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.7147	0.351	4	124.6043	0.281	6	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.3835	0.944	2	124.6043	0.281	6	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]H){1|C<3>,1|C<4>}	124.6000	0.132	2	124.6000	0.017	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Re<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>}	125.5820	0.762	2	125.5820	0.581	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.7600	0.000	1	124.6724	0.085	5	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.4055	0.190	2	124.6724	0.085	5	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.8955	0.231	2	124.6724	0.085	5	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CHS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ru<6>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CHS){2|C<4>}	124.3215	0.433	2	124.3215	0.188	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.0190	4.508	4	125.2959	2.871	37	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	125.9099	0.623	12	125.2959	2.871	37	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|H<1>}	123.7555	3.307	2	125.2959	2.871	37	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.1286	0.974	19	125.2959	2.871	37	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	128.8180	0.106	2	128.8180	0.011	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|H<1>}	125.7875	0.223	2	125.7875	0.050	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|H<1>}	123.2160	0.662	2	123.2160	0.438	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]C)(CCN)	C[5a](C[5a]N[5a]C)2(CH3){1|Pt<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]C)(CCN){1|C<3>}	129.4240	0.225	2	129.4240	0.051	2	125.3840	1.892	142	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){6|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.7930	0.000	1	126.7930	0.000	1	126.6962	0.315	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){4|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.9960	0.000	1	125.9960	0.000	1	126.6962	0.315	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	127.1460	0.000	1	127.1460	0.000	1	126.6962	0.315	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	126.7473	0.657	3	126.7473	0.432	3	126.6962	0.315	6	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CBrHH)	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CBrHH){2|C<3>}	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,3|C<3>}	125.3450	0.000	1	125.3450	0.000	1	127.0546	1.546	5	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH)	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	127.7910	0.000	1	127.7910	0.000	1	127.0546	1.546	5	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH)	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	126.4270	0.000	1	126.4270	0.000	1	127.0546	1.546	5	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH)	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C(C[5a]C[5a]N[5a])(Br)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	127.8550	1.022	2	127.8550	1.045	2	127.0546	1.546	5	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	132.6660	0.000	1	132.6660	0.000	1	132.6660	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH)	C(C[5a]C[5a]N[5a])(F)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH){4|C<3>}	C(C[5a]C[5a]N[5a])(F)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	126.4220	0.000	1	126.4220	0.000	1	126.4220	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	130.9170	0.000	1	130.9170	0.000	1	131.7450	1.371	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	132.5730	0.000	1	132.5730	0.000	1	131.7450	1.371	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	130.3595	0.054	2	130.3595	0.003	2	130.3595	0.003	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){2|C<4>,2|H<1>,4|C<3>}	129.8040	0.000	1	129.8040	0.000	1	129.8040	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN){1|C<4>,1|H<1>,2|C<3>}	131.2290	0.000	1	131.2290	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	129.9834	0.457	7	129.9834	0.209	7	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	128.8290	0.332	2	128.8290	0.110	2	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){1|C<4>,1|H<1>,2|C<3>}	129.6890	0.000	1	129.6890	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	129.8010	0.000	1	129.8010	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	132.4403	0.389	3	132.4403	0.152	3	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|N<2>,2|C<3>}	133.9245	0.216	2	133.9245	0.047	2	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	130.1180	0.000	1	130.1180	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	130.3140	0.000	1	130.3140	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){2|C<3>,2|H<1>}	130.8590	0.000	1	130.8590	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	132.6540	0.867	2	132.6540	0.752	2	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN){2|C<3>,2|H<1>}	130.4290	0.353	3	130.4290	0.125	3	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|N<2>,2|C<3>}	131.5450	0.000	1	131.6585	0.026	2	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	131.7720	0.000	1	131.6585	0.026	2	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|H<1>,1|S<4>,2|C<3>}	128.2100	0.198	2	128.2100	0.039	2	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	127.8653	0.186	3	127.8653	0.035	3	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	128.4357	0.571	3	128.4357	0.326	3	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O){1|H<1>,1|S<4>,2|C<3>}	128.7770	0.000	1	128.7770	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	127.6903	0.252	3	127.6903	0.063	3	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	128.1275	0.650	2	128.1275	0.422	2	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC){1|H<1>,1|S<4>,2|C<3>}	128.2560	0.000	1	128.2560	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|H<1>,1|S<4>,2|C<3>}	128.6800	0.000	1	128.6800	0.000	1	129.8836	3.196	43	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	129.4858	0.485	5	129.7180	0.589	7	129.7180	0.589	7	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	130.2985	1.283	2	129.7180	0.589	7	129.7180	0.589	7	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	131.8750	0.503	2	131.5652	0.243	4	131.5652	0.243	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	131.2555	0.302	2	131.5652	0.243	4	131.5652	0.243	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	129.3070	0.000	1	129.3070	0.000	1	130.2085	1.625	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	131.1100	0.000	1	131.1100	0.000	1	130.2085	1.625	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	131.6700	0.000	1	131.6700	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<4>}	130.6404	1.934	8	130.5914	3.296	9	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<4>}	130.2000	0.000	1	130.5914	3.296	9	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|C<4>}	130.0800	0.318	2	130.3188	0.090	5	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	130.4780	0.186	3	130.3188	0.090	5	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	128.6800	0.000	1	128.6800	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	132.8510	0.584	4	132.7652	0.293	5	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	132.4220	0.000	1	132.7652	0.293	5	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	132.7050	1.380	5	132.7050	1.904	5	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	131.1710	0.000	1	131.1710	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	132.4250	0.000	1	131.6098	0.588	18	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|O<2>,2|C<3>}	131.9899	0.377	10	131.6098	0.588	18	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	130.9503	0.771	7	131.6098	0.588	18	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	131.8020	0.728	2	131.8020	0.530	2	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>}	132.6500	0.000	1	132.6500	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|F<1>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|F<1>,1|H<1>}	132.2530	0.215	2	132.2530	0.046	2	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	132.6570	0.000	1	132.6570	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]I)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|Br<1>,1|I<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]I)(C[5a]N[5a]C)(COO){1|Br<1>,1|H<1>}	131.4655	1.193	2	131.4655	1.423	2	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	132.3350	0.000	1	132.3350	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|N<3>}	132.5345	0.706	4	132.5345	0.499	4	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CHO){1|C<4>,1|S<4>}	128.7300	0.839	2	128.7300	0.703	2	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO){1|C<4>}	131.9950	0.000	1	131.9950	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O){1|C<4>}	131.6910	0.000	1	131.6910	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<4>}	131.7583	0.414	3	131.7583	0.172	3	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|C<4>}	129.1560	0.000	1	129.1560	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<3>,1|C<4>}	129.0800	0.000	1	129.0800	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO){1|C<3>,1|C<4>}	129.4307	0.554	4	129.4307	0.307	4	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(COO){1|C<3>}	129.3890	0.000	1	129.3890	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>,1|H<1>}	131.0640	0.000	1	131.0640	0.000	1	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N){1|C<3>,1|H<1>}	133.1895	0.429	2	133.1895	0.184	2	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	132.1637	0.985	4	132.1637	0.970	4	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>,1|H<1>}	131.4868	0.466	4	131.4868	0.217	4	131.4145	1.920	83	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	130.1667	0.496	3	130.1667	0.246	3	130.2455	0.189	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[5]C[5]2){1|H<1>,2|C<4>,2|N<2>}	130.4820	0.000	1	130.4820	0.000	1	130.2455	0.189	4	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,3|C<3>}	130.0245	0.336	2	130.0245	0.113	2	130.9054	0.574	29	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|O<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	129.9410	0.250	2	129.9410	0.063	2	130.9054	0.574	29	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)2	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	130.9627	0.736	19	130.9627	0.542	19	130.9054	0.574	29	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|C<3>,1|N<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|N<2>,3|H<1>}	131.4770	0.000	1	131.3390	0.308	6	130.9054	0.574	29	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<3>,2|C<3>,2|H<1>}	131.6910	0.000	1	131.3390	0.308	6	130.9054	0.574	29	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	131.2165	0.667	4	131.3390	0.308	6	130.9054	0.574	29	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	130.3635	0.040	2	130.3330	0.004	3	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	130.2720	0.000	1	130.3330	0.004	3	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	129.0740	0.000	1	129.0740	0.000	1	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	130.9940	0.000	1	130.8032	0.076	4	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	130.7397	0.299	3	130.8032	0.076	4	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	131.1686	0.466	5	131.1686	0.217	5	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	128.4230	0.000	1	128.4230	0.000	1	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){5|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	130.8940	0.000	1	130.8940	0.000	1	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){1|C<4>,4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,3|C<3>}	129.7910	0.000	1	129.7910	0.000	1	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	133.6240	0.257	4	133.6240	0.066	4	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]Pd)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]Pd)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Pd<4>,2|C<3>,2|H<1>}	130.7260	0.000	1	130.7260	0.000	1	131.1171	2.104	21	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC){1|C<3>,1|C<4>}	128.7210	0.000	1	128.7210	0.000	1	129.3854	0.740	40	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|C<3>,1|C<4>}	129.4074	0.722	25	129.4074	0.522	25	129.3854	0.740	40	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[6]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[6]H){1|C<3>,1|C<4>}	129.2370	0.000	1	129.2370	0.000	1	129.3854	0.740	40	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC){1|C<3>,1|C<4>}	129.4440	0.247	6	129.4440	0.061	6	129.3854	0.740	40	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|C<3>,1|C<4>}	129.2140	0.000	1	129.2140	0.000	1	129.3854	0.740	40	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS){1|C<3>,1|C<4>}	128.8280	1.194	5	128.8280	1.426	5	129.3854	0.740	40	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(NOO){1|C<4>}	132.2550	0.000	1	132.2550	0.000	1	129.3854	0.740	40	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|O<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2){1|C<4>,2|O<1>,3|C<3>}	129.5820	0.000	1	129.5820	0.000	1	129.5820	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){2|N<2>,3|H<1>}	131.8860	0.000	1	131.8860	0.000	1	131.8860	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	129.6680	0.000	1	129.6680	0.000	1	129.6680	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	131.3880	0.000	1	131.3880	0.000	1	131.3880	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CCO)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CCO){4|C<3>}	131.4500	0.441	2	131.4500	0.195	2	131.6210	0.185	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O){4|C<3>}	131.9630	0.000	1	131.9630	0.000	1	131.6210	0.185	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	131.4700	0.475	2	131.4700	0.226	2	131.4700	0.226	2	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH){1|B<4>,1|C<3>}	127.6229	0.927	7	127.6229	0.858	7	128.3161	1.018	22	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHN)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHN){1|B<4>,1|C<3>}	128.3760	0.660	2	128.3760	0.436	2	128.3161	1.018	22	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHO)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHO){1|B<4>,1|C<3>}	128.2162	0.327	9	128.2162	0.107	9	128.3161	1.018	22	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO){1|B<4>,1|C<3>}	129.2480	0.644	3	129.2480	0.415	3	128.3161	1.018	22	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(CCO)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(CCO){2|C<3>,2|C<4>}	131.1520	0.000	1	131.1520	0.000	1	128.3161	1.018	22	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2){1|B<4>,2|H<1>,3|C<3>}	128.7030	0.000	1	128.7030	0.000	1	128.7030	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	128.6500	0.000	1	128.6500	0.000	1	128.6500	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,1|C<3>,2|H<1>,2|N<2>}	127.8170	0.235	2	128.3988	0.385	11	128.5046	0.485	12	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	128.5281	0.609	9	128.3988	0.385	11	128.5046	0.485	12	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	129.6680	0.000	1	129.6680	0.000	1	128.5046	0.485	12	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H){1|B<4>,1|C<3>}	127.3255	0.115	2	127.3255	0.013	2	128.2633	2.645	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NOO)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NOO){1|B<4>,1|C<3>}	130.1390	0.000	1	130.1390	0.000	1	128.2633	2.645	3	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C){1|B<4>,1|H<1>,4|C<3>}	128.4630	0.000	1	128.4630	0.000	1	128.4630	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3)	C(C[5a]N[5a,6a]C[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3){1|C<4>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	124.5450	0.000	1	124.5450	0.000	1	124.5450	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[6]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[6]O){1|C<3>}	129.6520	0.000	1	129.6520	0.000	1	129.6520	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH){2|C<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	125.5280	0.000	1	125.5280	0.000	1	125.5280	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCO){1|O<1>,3|C<3>}	130.5140	0.000	1	130.5140	0.000	1	130.5140	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C[3])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[5a,6a]C[3])(C[5a]C[5a,6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|C<2>,1|C<4>,2|C<3>}	129.8530	0.000	1	129.8530	0.000	1	129.8530	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CCO){4|C<3>}	131.2490	0.000	1	131.2490	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){2|C<3>}	132.8180	0.000	1	132.8180	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<3>}	131.2110	0.000	1	131.2110	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	130.2993	0.274	3	130.2993	0.075	3	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	131.9210	0.000	1	131.9210	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){2|C<3>}	129.9880	0.264	2	129.9880	0.070	2	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5]H){1|C<3>,1|C<4>}	129.9380	0.000	1	129.9380	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO){1|C<3>,1|C<4>}	131.6340	0.283	3	131.6340	0.080	3	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO){1|C<3>,1|C<4>}	130.4015	0.134	2	130.4015	0.018	2	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){2|C<3>}	130.3352	0.645	5	130.3352	0.416	5	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(COO){2|C<3>}	131.7100	0.000	1	131.7100	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|Pd<4>,1|C<3>}	126.4130	0.252	2	126.4130	0.063	2	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCO){3|C<3>}	129.8990	0.000	1	129.8990	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CNO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CNO){3|C<3>}	130.5103	0.423	3	130.5103	0.179	3	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	131.3020	0.000	1	131.3020	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O){1|C<3>}	130.3710	0.000	1	130.3710	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	129.4100	0.000	1	129.4100	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CCO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CCO){1|C<3>}	132.9185	0.064	2	132.9185	0.004	2	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]H){1|C<3>}	130.4730	0.000	1	130.4730	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHN){1|C<3>}	131.3060	0.000	1	131.3060	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHO){1|C<3>}	131.2620	0.000	1	131.2620	0.000	1	130.6091	1.927	35	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(C[5a]N[5a]H){1|N<2>,2|C<3>}	130.5200	0.000	1	130.5200	0.000	1	130.5200	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH){3|C<3>}	129.3910	0.000	1	129.3910	0.000	1	129.3910	0.000	1	128.0833	5.999	1025	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3)	C(C[5a]C[5,5a]C[5a])(F)3	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3){1|Ga<5>,1|N<3>,2|C<3>}	C(C[5a]C[5,5a]C[5a])(F)3	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3){1|Ga<5>,3|C<3>}	129.0620	0.000	1	129.0620	0.000	1	129.0620	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|Si<6>,1|C<3>,1|C<4>,1|O<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH){1|Si<6>,1|C<3>}	126.4145	0.325	2	126.4145	0.105	2	126.0123	0.538	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|P<4>,1|S<1>,1|S<2>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3){1|C<3>,1|P<4>}	125.2080	0.000	1	125.2080	0.000	1	126.0123	0.538	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CH3)	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	130.1520	0.000	1	130.1520	0.000	1	130.1520	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3)	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3){1|Ga<5>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3){1|Ga<5>,1|N<3>,2|C<3>}	124.1650	0.000	1	124.1650	0.000	1	124.1650	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|Ga<5>,1|H<1>,2|C<3>}	127.2705	1.088	2	127.2705	1.184	2	127.2705	1.184	2	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	125.0610	0.000	1	125.0610	0.000	1	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	129.3040	0.000	1	129.3040	0.000	1	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	127.6627	0.549	19	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<4>}	126.1195	0.063	2	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	124.1577	0.597	15	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	127.7487	0.536	3	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	124.9555	0.624	65	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	124.4790	0.000	1	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Pt<4>,1|B<4>,1|C<3>,1|C<4>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	123.2230	0.195	2	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	124.7197	0.374	14	125.3103	1.704	121	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	127.6520	0.533	2	127.6520	0.284	2	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3){1|B<4>,1|C<3>}	126.4570	0.000	1	126.4570	0.000	1	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	127.2960	0.479	2	127.2960	0.230	2	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3){1|B<4>,1|N<3>,2|C<3>}	126.6932	0.347	9	126.6932	0.121	9	125.5000	1.871	137	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:Br-1:Br-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H)	C(C[5a]C[5a,6a]C[5a])(Br)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBr2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(Br)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBr2H){2|C<3>}	123.9790	0.000	1	123.9790	0.000	1	123.9790	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3){2|C<3>}	127.2240	0.000	1	127.2240	0.000	1	127.2240	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H){2|C<3>}	129.4690	0.000	1	129.4690	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	129.2863	0.411	3	129.2863	0.169	3	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	127.7460	0.000	1	127.7670	0.001	2	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){1|C<3>,1|N<2>}	127.7880	0.000	1	127.7670	0.001	2	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	127.9435	1.300	2	127.9435	1.691	2	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHO){2|C<3>}	127.3040	0.000	1	127.3040	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	127.6545	1.356	2	127.6545	1.837	2	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	127.1431	0.619	7	127.1431	0.383	7	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	126.8930	0.000	1	126.8930	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	129.2410	0.703	2	129.2410	0.494	2	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	127.3222	0.616	8	127.3222	0.379	8	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(CC[5a]2Rh)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(CC[5a]2Rh){2|C<3>}	130.0157	1.844	3	130.0157	3.399	3	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH){2|C<3>}	127.1870	0.000	1	127.1870	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	127.7730	0.000	1	127.7730	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN){2|C<3>}	129.1540	0.000	1	129.1540	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH){2|C<3>}	127.2260	0.000	1	127.2260	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	127.0290	0.000	1	127.0290	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	127.7710	0.348	2	127.7710	0.121	2	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH){2|C<3>}	127.8660	0.000	1	127.8660	0.000	1	127.9285	1.359	40	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H){1|C<4>,1|H<1>,4|C<3>}	128.3890	0.055	2	128.3890	0.003	2	128.5607	0.090	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	128.9040	0.000	1	128.9040	0.000	1	128.5607	0.090	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2Cu)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2Cu){2|C<3>}	128.1083	1.239	3	128.1083	1.535	3	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Ir)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Ir){2|C<3>}	128.2410	0.000	1	128.2410	0.000	1	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Rh)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Rh){2|C<3>}	128.9145	0.852	2	128.9145	0.726	2	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu){2|C<3>}	131.3700	0.000	1	130.0873	1.276	3	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu){2|C<3>}	129.4460	0.291	2	130.0873	1.276	3	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Rh)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Rh){2|C<3>}	129.9837	0.193	12	129.9837	0.037	12	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Ru)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Ru){2|C<3>}	129.3900	0.078	3	129.3900	0.006	3	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Cr)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Cr){2|C<3>}	128.2160	0.000	1	128.2160	0.000	1	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Ru)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Ru){2|C<3>}	129.0717	0.827	3	129.0717	0.683	3	129.4308	0.821	28	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.1760	0.000	1	128.1760	0.000	1	127.4941	1.649	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CH3){1|Zr<12>,2|C<3>,2|C<4>}	127.6280	0.000	1	127.6280	0.000	1	127.4941	1.649	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){1|N<2>,3|C<3>}	124.3690	0.000	1	124.3690	0.000	1	127.4941	1.649	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO){2|C<3>,2|N<2>}	128.2760	0.000	1	128.2760	0.000	1	127.4941	1.649	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Ir<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]C)(CH3){2|C<3>}	128.0070	0.093	2	128.0070	0.009	2	127.4941	1.649	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]Rh)(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Rh<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]Rh)(C[5a]C[5a,6a]C)(CH3){2|C<3>}	127.7450	0.153	2	127.7450	0.023	2	127.4941	1.649	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH)	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH){1|C<4>}	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH){1|C<4>}	124.3090	0.000	1	124.3090	0.000	1	124.3090	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<4>}	128.7680	1.756	2	126.2495	10.616	4	127.3265	5.971	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<3>}	123.7310	1.841	2	126.2495	10.616	4	127.3265	5.971	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3){1|Ni<4>,1|H<1>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3){1|Ni<4>,1|H<1>}	128.4035	0.473	4	128.4035	0.224	4	127.3265	5.971	8	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3){1|C<3>,1|H<1>}	125.3270	0.000	1	125.3270	0.000	1	125.3270	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3){1|C<3>,1|P<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|P<4>,1|S<1>,1|S<2>}	126.2960	0.000	1	126.2960	0.000	1	126.2960	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	127.8375	0.377	4	127.9760	0.154	7	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,2|C<2>}	128.1607	0.399	3	127.9760	0.154	7	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	127.5740	0.697	2	127.5740	0.486	2	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|H<1>}	127.0510	0.000	1	127.0510	0.000	1	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	129.5050	0.000	1	129.5050	0.000	1	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	128.3740	2.768	2	128.3740	7.660	2	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3){1|B<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|H<1>,2|C<3>}	125.6230	0.430	9	125.6230	0.185	9	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,1|C<2>,1|C<3>}	128.0790	0.673	3	127.9969	0.225	7	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,2|C<3>}	127.9352	0.369	4	127.9969	0.225	7	127.2713	1.827	29	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	126.2060	0.000	1	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	127.2405	1.257	13	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	125.3620	0.337	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	125.6006	0.937	26	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	125.8930	0.429	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Co<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	127.5260	0.331	4	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	129.0405	0.114	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	127.6300	0.259	6	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<5>,1|C<3>}	127.6890	0.197	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	127.7613	0.486	11	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	128.0190	0.354	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ir<6>,1|C<3>}	127.5745	0.245	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Li<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Li<4>,1|C<3>}	126.3705	4.026	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	126.6346	2.201	21	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	127.7107	1.336	15	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Re<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Re<6>,1|C<3>}	127.5410	0.942	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	127.9510	0.000	1	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<5>,1|C<3>}	128.5575	0.552	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<6>,1|C<3>}	124.9183	2.376	6	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ru<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	123.3970	0.223	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ru<6>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	129.2725	0.462	2	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	125.4307	3.033	10	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	124.8839	2.062	14	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	125.6053	2.176	40	126.3367	4.118	190	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<2>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	124.4720	0.000	1	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<2>,1|H<1>}	126.6000	0.000	1	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	125.5097	0.832	26	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	125.5670	0.000	1	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	125.4590	0.000	1	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	123.8780	0.472	2	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	125.4308	0.329	6	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cr<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cr<4>,1|C<4>}	122.9495	0.095	2	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	125.8631	1.748	17	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	127.5188	0.851	4	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	126.7188	0.705	4	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<4>,1|C<4>}	126.5333	0.281	3	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	124.8225	0.885	4	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<6>,1|C<3>}	125.1540	1.123	4	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Mo<8>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Mo<8>,1|C<4>}	126.3100	0.474	2	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	128.4730	0.569	4	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	128.2003	1.068	6	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	127.3673	1.125	6	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|C<4>}	123.9505	0.199	2	125.9952	2.351	96	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){2|C<4>}	126.6940	0.000	1	126.6940	0.000	1	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|Zn<4>,1|C<3>}	129.3175	2.664	2	126.1222	7.692	6	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	124.5245	0.495	4	126.1222	7.692	6	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	127.7280	0.000	1	127.0228	0.298	9	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Fe<5>,1|N<3>,2|C<3>}	126.9346	0.511	8	127.0228	0.298	9	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	126.9445	1.276	2	126.9445	1.629	2	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	127.7980	0.000	1	125.0374	2.453	5	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	124.3473	0.308	4	125.0374	2.453	5	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	127.7150	0.437	2	127.7150	0.191	2	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	123.4380	0.445	2	123.4380	0.198	2	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	126.4575	0.686	4	126.7673	1.010	6	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|H<1>}	127.3870	1.577	2	126.7673	1.010	6	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|S<4>}	126.9120	0.000	1	126.9120	0.000	1	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|N<2>}	129.6465	0.408	4	129.6465	0.166	4	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	127.6503	0.300	3	127.6503	0.090	3	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<3>}	122.6482	1.043	4	122.6482	1.087	4	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	124.3395	0.264	2	125.3378	1.084	14	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Cu<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<5>,1|C<3>}	125.6965	2.032	2	125.3378	1.084	14	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Fe<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	125.5437	0.735	6	125.3378	1.084	14	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Fe<6>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	126.3795	0.436	2	125.3378	1.084	14	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	124.3180	0.503	2	125.3378	1.084	14	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	126.0840	0.305	2	126.0840	0.093	2	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Cu<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Cu<5>,1|N<3>,2|C<3>}	126.6450	0.000	1	126.6450	0.000	1	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	125.1324	0.810	14	125.1324	0.656	14	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3){1|S<2>,2|C<3>}	123.7880	0.000	1	123.7880	0.000	1	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	125.3657	0.805	4	125.3657	0.648	4	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CCHH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CCHH){1|C<3>}	124.5650	0.000	1	124.5650	0.000	1	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	124.9975	0.108	2	124.9975	0.012	2	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	122.2410	1.135	4	122.2410	1.287	4	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	127.8000	0.000	1	127.8000	0.000	1	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	126.1080	0.803	2	126.1080	0.645	2	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	125.0880	0.134	2	125.0880	0.018	2	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	125.9365	0.487	4	125.9365	0.237	4	126.0973	3.525	383	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-4:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NH3)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NH3){1|H<1>}	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	126.5780	0.000	1	126.7295	0.978	4	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	125.4090	0.000	1	126.7295	0.978	4	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|C<4>}	127.4655	0.289	2	126.7295	0.978	4	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC3){2|C<4>}	128.4295	0.339	2	128.4295	0.115	2	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	127.7340	0.000	1	127.7340	0.000	1	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|C<4>}	127.0905	0.192	2	127.0905	0.037	2	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3){1|C<3>,1|H<1>}	126.2220	0.000	1	126.2220	0.000	1	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CHHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CHHO){2|H<1>}	126.6480	0.000	1	126.6480	0.000	1	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHHN){1|C<3>,1|O<2>}	127.8175	1.423	2	127.8175	2.026	2	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	128.4850	0.000	2	128.4850	0.000	2	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	128.5285	0.647	2	128.5285	0.419	2	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	127.7320	0.000	1	127.7320	0.000	1	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CH3){1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	128.3060	1.109	3	128.3500	0.520	6	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CH3){1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	128.3940	0.256	3	128.3500	0.520	6	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	128.8460	0.000	1	128.8460	0.000	1	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<3>}	128.7340	0.000	1	128.7340	0.000	1	127.8322	0.964	26	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3){2|C<4>,3|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,5|H<1>}	128.2480	0.000	1	128.2480	0.000	1	128.2480	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O){1|C<4>,1|H<1>}	127.7860	0.000	1	127.7860	0.000	1	127.7860	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5,5a]C[5,5a]P[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3){1|C<3>,1|P<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5,5a]C[5,5a]P[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|S<1>,1|S<2>,2|C<3>}	125.9620	0.000	1	125.9620	0.000	1	125.9620	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3){2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	127.6365	0.054	2	127.6365	0.003	2	127.6365	0.003	2	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	125.3410	0.680	2	125.3410	0.463	2	125.4270	0.254	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	125.5990	0.000	1	125.5990	0.000	1	125.4270	0.254	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]C)(CC3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cr<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]C)(CC3){2|C<4>}	130.0745	0.223	2	130.0745	0.050	2	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	125.7422	0.761	4	125.7422	0.579	4	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CHHP)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<4>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CHHP){2|C<4>}	126.6513	0.282	3	126.6513	0.080	3	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Mo<8>,1|C<4>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CH3){2|C<4>}	126.5240	0.655	2	126.5240	0.429	2	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3){1|C<3>,3|C<4>}	126.2495	0.310	2	126.2495	0.096	2	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){2|C<3>,2|C<4>}	126.3485	0.258	4	126.3485	0.066	4	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CCCH){1|C<3>,1|C<4>}	125.8900	1.578	2	125.8900	2.491	2	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	125.1003	0.680	4	125.1003	0.462	4	126.3563	1.945	23	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:Br-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBr2H)	C(C[5a]C[5a]N[5a])(Br)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBr2H){2|C<3>}	C(C[5a]C[5a]N[5a])(Br)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H){1|H<1>,1|S<4>,2|C<3>}	128.2480	0.000	1	128.2480	0.000	1	128.2480	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH){2|C<3>}	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	126.4070	0.000	1	126.4070	0.000	1	126.4070	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,3|C<4>}	129.3350	0.000	1	129.3350	0.000	1	130.3365	2.006	2	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	131.3380	0.000	1	131.3380	0.000	1	130.3365	2.006	2	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	130.5078	0.738	5	130.5078	0.545	5	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF){1|C<4>,1|H<1>,2|C<3>}	130.8740	0.085	2	130.8740	0.007	2	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	129.2600	0.000	1	128.2167	0.792	16	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	128.1471	0.875	15	128.2167	0.792	16	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	129.6194	0.499	9	129.6194	0.249	9	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|N<2>,1|O<1>,1|O<2>}	129.4990	0.000	1	129.2120	0.165	2	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	128.9250	0.000	1	129.2120	0.165	2	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	132.3223	0.609	3	132.3223	0.371	3	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	130.4807	0.422	9	130.4807	0.178	9	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	131.1270	0.000	1	131.1270	0.000	1	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	130.2560	0.710	8	130.2560	0.503	8	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	128.2590	0.000	1	128.2590	0.000	1	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	127.5567	0.354	4	127.5567	0.125	4	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,1|S<4>,2|C<3>}	129.0450	0.000	1	129.0450	0.000	1	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	127.6150	0.000	1	127.6150	0.000	1	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO){1|H<1>,1|S<4>,2|C<3>}	127.6910	0.000	1	127.6910	0.000	1	129.4930	1.955	63	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	130.1990	0.000	1	130.1990	0.000	1	130.1990	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	130.6890	0.000	1	130.6890	0.000	1	130.6890	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>}	129.7720	0.000	1	129.5657	0.354	4	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	130.2990	0.000	1	129.5657	0.354	4	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|C<4>}	129.0960	0.198	2	129.5657	0.354	4	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH){2|C<4>}	129.5720	0.000	1	129.5720	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	130.3654	0.823	20	130.3654	0.677	20	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC){1|C<3>,1|H<1>}	132.1320	0.000	1	132.1320	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>}	131.1660	0.000	1	131.1660	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	132.1550	0.277	2	132.1550	0.077	2	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH){1|C<3>,1|C<4>}	129.3005	0.552	2	129.3005	0.305	2	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){2|C<3>}	128.8240	0.000	1	128.8240	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>,1|C<4>}	129.9520	0.000	1	129.9520	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|C<3>}	128.6600	0.000	2	128.6600	0.000	2	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3){1|C<3>}	130.8560	0.849	3	130.9092	0.323	6	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3){1|C<4>}	130.9623	0.281	3	130.9092	0.323	6	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>}	130.4100	0.470	2	130.4100	0.220	2	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H){1|C<3>,1|H<1>}	130.7430	0.052	2	130.7430	0.003	2	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>,1|H<1>}	129.9540	1.334	2	129.9540	1.778	2	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	130.1160	0.000	1	130.1160	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>}	129.4560	0.000	1	129.4560	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CCHH){1|H<1>}	131.7107	1.066	3	131.7107	1.135	3	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|H<1>}	131.6167	0.950	7	131.6511	0.784	8	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	131.8920	0.000	1	131.6511	0.784	8	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[5a]HH){1|H<1>}	131.2063	0.582	14	131.2063	0.339	14	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CC[6a]HH){1|H<1>}	131.6380	0.618	2	131.6380	0.382	2	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	132.2970	0.000	1	132.2970	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHN){1|H<1>}	130.4100	0.000	1	130.4100	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHO){1|H<1>}	131.2200	0.000	1	131.2200	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHS)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)2(CHHS){1|H<1>}	132.1020	0.000	1	132.1020	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	130.8100	0.000	1	130.8100	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	131.7300	0.000	1	131.7300	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN)	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3){1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN){1|C<4>}	129.6570	0.000	1	129.6570	0.000	1	130.7400	1.072	83	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3){1|C<3>,1|C<4>}	129.7758	0.804	4	129.7758	0.646	4	129.5992	0.640	5	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NRuHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NRuHH){1|C<3>,1|C<4>}	128.8930	0.000	1	128.8930	0.000	1	129.5992	0.640	5	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]O)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O){1|H<1>,1|O<2>}	132.9680	0.000	1	132.9680	0.000	1	132.9680	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC[6a]OO){1|C<4>,1|H<1>}	131.3450	0.000	1	131.3450	0.000	1	132.1440	0.720	4	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	131.9040	0.000	1	131.9040	0.000	1	132.1440	0.720	4	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	132.6635	0.961	2	132.6635	0.923	2	132.1440	0.720	4	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5,5a]C[5,5a]P[5])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3)	C[5a](N[5,5a]C[5,5a]P[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|S<1>,1|S<2>,2|C<3>}	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3){1|C<3>,1|P<4>}	129.5010	0.000	1	129.5010	0.000	1	127.2827	3.699	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH)	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|N<2>,2|O<2>}	C(C[5a]N[5,5a]C[5a])(H)3	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH){1|Si<6>,1|C<3>}	126.1735	0.132	2	126.1735	0.017	2	127.2827	3.699	3	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]N[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3){2|C<3>}	130.8895	0.428	2	130.8895	0.183	2	130.8895	0.183	2	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	126.7035	0.281	2	126.7035	0.079	2	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	126.5235	0.412	4	126.5235	0.169	4	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	128.4310	0.000	1	128.2580	0.042	3	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	128.1715	0.200	2	128.2580	0.042	3	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|C<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	127.4565	0.316	2	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	127.6290	0.640	74	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	126.6100	0.006	2	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	127.2400	0.000	1	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	127.6618	0.303	6	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	125.2389	1.111	11	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<2>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	125.9320	0.000	1	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<4>}	128.7365	0.747	2	127.3427	1.078	99	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	127.2460	0.202	2	127.2460	0.041	2	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	126.9640	0.000	1	126.9640	0.000	1	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]Si[4,6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]Si[4,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,3|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	128.7545	0.555	10	128.7545	0.308	10	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,3|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	128.3430	0.604	2	128.5408	0.216	4	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	128.7385	0.356	2	128.5408	0.216	4	127.4749	1.125	125	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6])(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6])(CH3){1|C<3>,3|H<1>,4|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	129.2130	0.000	1	129.2130	0.000	1	129.2130	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]OO)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(CH3){2|H<1>,3|C<4>}	C(C[5a]N[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]OO){2|C<4>}	133.2650	0.000	1	133.2650	0.000	1	133.2650	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CH3){1|Zr<12>,2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	126.7230	0.000	1	126.7230	0.000	1	126.9267	2.335	6	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>,2|N<2>}	129.9750	0.000	1	129.9750	0.000	1	126.9267	2.335	6	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Ir<4>,1|O<2>,2|C<3>}	126.0335	0.426	2	126.0335	0.182	2	126.9267	2.335	6	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]Rh)(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]Rh)(C[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Rh<4>,1|O<2>,2|C<3>}	126.3975	0.066	2	126.3975	0.004	2	126.9267	2.335	6	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	130.2235	1.715	2	130.2235	2.940	2	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	126.4827	0.362	6	126.4827	0.131	6	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	125.4937	0.784	10	125.4937	0.615	10	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	126.7458	1.132	4	126.7458	1.281	4	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Li<4>,1|C<3>}	125.9320	0.038	2	125.9320	0.001	2	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Mo<8>,1|C<4>}	127.5150	0.861	2	127.5150	0.742	2	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3){1|C<3>,3|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	132.2035	0.554	2	132.2035	0.307	2	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	132.4588	0.335	4	132.4588	0.112	4	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	126.0195	0.334	2	126.0195	0.112	2	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	126.9438	0.633	20	126.9438	0.401	20	127.2836	4.551	54	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](N[5a]N[5a]Pd)(C[5a]C[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3)	C[5a](N[5a]N[5a]Pd)(C[5a]C[5a]P)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3){1|Pd<4>,1|C<3>}	131.2380	0.000	1	131.2380	0.000	1	131.2380	0.000	1	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3){1|Cl<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3){1|Cl<1>,3|C<3>}	130.2140	0.188	2	130.2140	0.035	2	130.2140	0.035	2	127.1765	4.965	1065	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[3]-4:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH)	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a]){1|C<3>,1|S<2>,4|H<1>}	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	129.4750	0.426	2	129.3287	0.155	3	130.6614	2.434	7	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	129.0360	0.000	1	129.3287	0.155	3	130.6614	2.434	7	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	130.6100	0.740	2	130.6100	0.547	2	130.6614	2.434	7	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	132.7120	0.027	2	132.7120	0.001	2	130.6614	2.434	7	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C){1|O<1>,3|H<1>,4|C<3>}	134.6890	0.000	1	134.6890	0.000	1	132.5913	2.572	4	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3){1|N<3>,4|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C){1|O<1>,2|H<1>,7|C<3>}	132.3400	0.802	2	132.3400	0.643	2	132.5913	2.572	4	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C){1|C<4>,3|H<1>,5|C<3>}	130.9960	0.000	1	130.9960	0.000	1	132.5913	2.572	4	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C){1|H<1>,2|C<3>}	132.7130	0.000	1	132.7130	0.000	1	132.7130	0.000	1	131.4757	3.042	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	132.1625	0.754	2	132.1625	0.569	2	132.1625	0.569	2	126.7202	14.469	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	124.0870	0.000	1	124.0870	0.000	1	124.8238	1.397	10	126.7202	14.469	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.0120	0.000	1	126.0120	0.000	1	124.8238	1.397	10	126.7202	14.469	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]C)(S[5a]C[5a]){1|Ru<6>,1|C<5>,2|C<4>,3|H<1>}	125.3380	1.559	4	125.3380	2.430	4	124.8238	1.397	10	126.7202	14.469	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	123.7610	0.000	1	123.7610	0.000	1	124.8238	1.397	10	126.7202	14.469	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.3420	0.470	3	124.3420	0.221	3	124.8238	1.397	10	126.7202	14.469	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	134.8000	0.000	1	134.8000	0.000	1	134.8000	0.000	1	126.7202	14.469	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	130.3820	0.000	1	130.3820	0.000	1	129.2170	1.223	4	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	128.8870	0.000	1	128.8870	0.000	1	129.2170	1.223	4	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){2|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,6|C<3>}	129.7620	0.000	1	129.7620	0.000	1	129.2170	1.223	4	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	127.8370	0.000	1	127.8370	0.000	1	129.2170	1.223	4	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	128.2000	0.000	1	128.2000	0.000	1	128.2000	0.000	1	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C-4:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	C(C[5a]C[5a]2)(F)3	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	132.2278	0.567	4	132.2278	0.321	4	132.2278	0.321	4	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C-4:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	C(C[5a]C[5a]2)(F)3	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(F)3	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<3>,1|C<4>}	124.5840	0.754	2	124.5840	0.568	2	124.5840	0.568	2	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	126.8300	0.010	2	126.8300	0.000	2	126.8300	0.000	2	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(CH3)	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(H)3	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C){2|C<3>,2|H<1>}	125.8730	0.000	1	125.8730	0.000	1	125.8730	0.000	1	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	130.9670	0.465	2	130.9670	0.216	2	130.9670	0.216	2	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2{1|C<3>,2|C<4>,2|H<1>}	131.0080	0.000	1	131.1678	1.253	4	131.1678	1.253	4	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	C(C[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2{2|H<1>,3|C<4>}	131.2210	1.365	3	131.1678	1.253	4	131.1678	1.253	4	129.4642	6.953	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CHHO){1|C<4>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	127.1970	0.000	1	127.1970	0.000	1	128.6590	4.275	2	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC[6a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC[6a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<4>}	130.1210	0.000	1	130.1210	0.000	1	128.6590	4.275	2	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO){1|H<1>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){2|H<1>}	124.8950	1.665	2	124.8950	2.771	2	124.8950	2.771	2	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	123.2522	0.502	10	123.2522	0.252	10	123.2522	0.252	10	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS)	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS){1|H<1>}	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	123.4375	0.296	2	123.4375	0.088	2	123.4375	0.088	2	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	131.7110	0.000	1	131.7110	0.000	1	131.7110	0.000	1	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CHHO){1|H<1>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	129.8940	0.000	1	129.8940	0.000	1	131.6204	1.307	7	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	132.3205	0.422	2	132.3205	0.178	2	131.6204	1.307	7	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	132.2140	0.450	2	132.2140	0.202	2	131.6204	1.307	7	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	131.1900	1.557	2	131.1900	2.424	2	131.6204	1.307	7	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CHHN){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(NC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	135.1850	0.000	1	135.1850	0.000	1	135.1850	0.000	1	126.9898	18.170	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO)	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	123.7210	0.000	2	123.7210	0.000	2	123.7210	0.000	2	126.5630	24.231	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	C(C[5a]N[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|H<1>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	132.2470	0.000	1	132.2470	0.000	1	132.2470	0.000	1	126.5630	24.231	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CHHO)	C(C[5a]C[5a]2)(OH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CHHO){1|H<1>}	C(C[5a]C[5a]2)(OH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	128.0710	0.000	1	128.0710	0.000	1	128.0710	0.000	1	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	123.0257	0.742	3	123.0257	0.550	3	123.8185	2.881	4	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC[6])(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	C(C[5a]C[5a]2)(OC[6])(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	126.1970	0.000	1	126.1970	0.000	1	123.8185	2.881	4	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CHHS)	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CHHS){1|H<1>}	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	127.8850	0.000	1	127.8850	0.000	1	127.8850	0.000	1	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS)	C(C[5a]C[5a]2)(SC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(SC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	124.3290	0.000	1	124.3290	0.000	1	124.3290	0.000	1	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	131.0470	0.000	1	131.0470	0.000	1	130.3175	1.587	4	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	129.2745	0.463	2	129.2745	0.215	2	130.3175	1.587	4	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	131.6740	0.000	1	131.6740	0.000	1	130.3175	1.587	4	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO){2|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<3>}	132.5540	0.000	1	132.5540	0.000	1	132.5540	0.000	1	127.4486	12.310	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO)	C(C[5a]C[5a,6]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO){1|C<3>,1|H<1>,3|C<4>}	C(C[5a]C[5a,6]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H){2|C<4>}	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.2280	0.000	1	127.2280	0.000	1	126.0850	1.757	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	124.2590	0.000	1	125.9217	1.801	7	126.0850	1.757	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.8430	1.614	2	125.9217	1.801	7	126.0850	1.757	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	124.9260	0.000	1	125.9217	1.801	7	126.0850	1.757	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.8603	0.946	3	125.9217	1.801	7	126.0850	1.757	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	130.0370	0.547	2	130.0370	0.300	2	130.0370	0.300	2	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.8297	0.848	3	126.8297	0.720	3	126.8297	0.720	3	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHHO){2|H<1>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	125.6320	0.000	1	125.6320	0.000	1	124.0272	4.296	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CHHO){1|C<4>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|H<1>}	127.3160	0.000	1	127.3160	0.000	1	124.0272	4.296	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	122.6983	1.735	4	122.6983	3.009	4	124.0272	4.296	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO){1|H<1>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|Cl<1>}	124.2385	0.709	2	124.2385	0.503	2	124.0272	4.296	8	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHO){2|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	127.0800	0.000	1	127.0800	0.000	1	127.0800	0.000	1	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.2835	0.009	2	131.2835	0.000	2	131.5210	0.169	3	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	131.9960	0.000	1	131.9960	0.000	1	131.5210	0.169	3	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHS)	C(C[5a]C[5a]N[5a])(SC[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHS){2|C<3>}	C(C[5a]C[5a]N[5a])(SC[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	127.2560	0.000	1	127.2560	0.000	1	127.2560	0.000	1	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){2|H<1>,2|N<2>}	C(C[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	126.3920	0.000	1	126.3920	0.000	1	129.4130	7.368	3	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	130.9235	1.023	2	130.9235	1.047	2	129.4130	7.368	3	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHHO){2|C<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	126.5890	0.000	1	126.5890	0.000	1	126.5890	0.000	1	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHO){4|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){4|C<3>}	130.3870	0.000	1	130.3870	0.000	1	130.3870	0.000	1	126.9025	8.006	32	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C(C[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH){5|C<3>}	C(C[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	125.3620	0.000	1	125.3620	0.000	1	125.3620	0.000	1	126.4316	4.535	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	125.1283	1.873	4	125.1283	3.510	4	125.1283	3.510	4	126.4316	4.535	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.3530	0.000	1	127.3530	0.000	1	126.5520	1.283	2	126.4316	4.535	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]2)(OSi)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(OSi)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	125.7510	0.000	1	125.7510	0.000	1	126.5520	1.283	2	126.4316	4.535	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHO){2|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	127.2310	0.115	2	127.2310	0.013	2	127.2310	0.013	2	126.4316	4.535	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CHHO){1|O<2>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|H<1>}	130.8750	0.000	1	130.8750	0.000	1	130.8750	0.000	1	126.4316	4.535	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.0190	0.000	1	127.0190	0.000	1	127.0190	0.000	1	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C(C[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH){5|C<3>}	C(C[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	126.8100	0.000	1	126.8100	0.000	1	126.8100	0.000	1	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO){1|C<3>}	126.3690	0.000	1	126.3690	0.000	1	127.2130	1.425	2	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]2)(OSi)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(OSi)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO){1|C<3>}	128.0570	0.000	1	128.0570	0.000	1	127.2130	1.425	2	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	128.4020	0.000	1	128.4020	0.000	1	124.5947	2.012	11	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	124.2140	0.681	10	124.2140	0.464	10	124.5947	2.012	11	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){1|C<3>,1|N<3>}	124.1850	0.000	1	124.1850	0.000	1	125.6300	4.176	2	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHHO){2|H<1>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO){2|H<1>}	127.0750	0.000	1	127.0750	0.000	1	125.6300	4.176	2	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS)	C(C[5a]C[5a]2)(SC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(SC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	128.4920	0.000	1	128.4920	0.000	1	128.4920	0.000	1	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHO){2|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	128.8490	0.868	2	128.8490	0.754	2	128.8490	0.754	2	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CHHO){4|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	130.1210	3.609	2	130.1210	13.025	2	130.1210	13.025	2	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHHS){2|C<3>}	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|C<4>}	130.2940	0.281	3	130.2940	0.079	3	129.5305	2.384	4	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS){2|C<3>}	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	127.2400	0.000	1	127.2400	0.000	1	129.5305	2.384	4	126.7158	6.649	26	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	127.5610	0.000	1	127.5610	0.000	1	127.5610	0.000	1	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<4>}	123.8260	0.235	2	123.8260	0.055	2	122.6388	3.451	4	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	C(C[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	122.9780	0.000	1	122.9780	0.000	1	122.6388	3.451	4	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C(C[5a]C[5a]2)(OC[6])(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	C(C[5a]C[5a]2)(OC[6])(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	119.9250	0.000	1	119.9250	0.000	1	122.6388	3.451	4	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CHHO)	C(C[5a]C[5a]2)(OH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CHHO){1|H<1>}	C(C[5a]C[5a]2)(OH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	126.5050	0.000	1	126.5050	0.000	1	126.5050	0.000	1	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS)	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS){1|H<1>}	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS){1|H<1>}	124.7310	0.120	2	124.7310	0.014	2	124.7310	0.014	2	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CHHS)	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CHHS){1|H<1>}	C(C[5a]C[5a]2)(SC[6a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	126.3970	0.000	1	126.3970	0.000	1	126.3970	0.000	1	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	126.6940	0.000	1	126.6940	0.000	1	126.6940	0.000	1	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CHHO)	C(C[5a]C[5a]N[5a])(OSi)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CHHO){2|H<1>}	C(C[5a]C[5a]N[5a])(OSi)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>}	129.4090	0.000	1	129.4090	0.000	1	129.4090	0.000	1	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO){2|C<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	125.4228	6.903	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:2:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC[6a])(H)2	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a])	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CHHO)	C(C[5a]C[5a]2)(OC[6a])(H)2	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a]){1|H<1>}	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	123.8170	0.000	1	128.9880	8.681	6	128.9880	8.681	6	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	130.0222	1.682	5	128.9880	8.681	6	128.9880	8.681	6	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	124.1688	1.398	4	124.1688	1.954	4	124.1688	1.954	4	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	128.6060	0.000	1	128.6060	0.000	1	128.6060	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	127.0110	0.000	1	127.0110	0.000	1	127.0110	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	124.5180	0.000	1	124.5180	0.000	1	124.5180	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	125.7400	0.994	2	125.7400	0.988	2	125.7400	0.988	2	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH)	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH){1|H<1>}	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	123.4240	0.000	1	123.4240	0.000	1	123.4240	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|H<1>}	127.9490	0.342	2	127.9490	0.117	2	127.9490	0.117	2	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CHHN)	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CHHN){2|C<3>}	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<3>}	134.6050	0.000	1	134.6050	0.000	1	134.6050	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CN[6]HH)	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CN[6]HH){1|H<1>}	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	123.2900	0.000	1	123.2900	0.000	1	123.2900	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	129.6960	0.000	1	129.6960	0.000	1	129.6960	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	131.7477	0.768	3	131.7477	0.590	3	131.7477	0.590	3	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	131.5130	0.000	1	131.5130	0.000	1	131.5995	0.300	4	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	131.6283	0.668	3	131.6283	0.446	3	131.5995	0.300	4	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	130.2150	0.000	1	130.2150	0.000	1	130.2150	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CCHH)	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	128.8067	0.536	3	128.8067	0.287	3	128.8067	0.287	3	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH){1|N<2>,2|C<3>}	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	128.4015	0.479	2	128.4015	0.229	2	128.4015	0.229	2	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	133.1370	0.000	1	133.1370	0.000	1	133.1370	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	133.9460	0.000	1	133.9460	0.000	1	133.9460	0.000	1	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	134.8783	0.512	3	134.8783	0.262	3	134.8783	0.262	3	129.1264	12.816	39	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH){1|C<3>,1|H<1>}	127.4060	0.000	1	127.4060	0.000	1	127.4060	0.000	1	127.4060	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO){1|C<3>,1|S<2>}	124.8505	0.675	2	124.8505	0.456	2	124.8505	0.456	2	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	129.5010	0.000	1	129.5010	0.000	1	129.5010	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[5a]O){2|C<3>}	126.1830	0.000	1	126.1830	0.000	1	126.1830	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH){2|C<3>}	132.5950	0.000	1	132.5950	0.000	1	132.5950	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.3200	0.000	1	128.3200	0.000	1	128.3200	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<2>,1|N<3>}	126.2860	0.276	2	126.2860	0.076	2	126.2860	0.076	2	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NOO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NOO){2|H<1>}	126.7750	0.000	1	126.7750	0.000	1	126.7750	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	128.4750	0.000	1	128.4750	0.000	1	128.4750	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){2|H<1>}	126.7690	0.000	1	126.7690	0.000	1	126.1170	2.136	3	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){2|H<1>}	127.1390	0.000	1	127.1390	0.000	1	126.1170	2.136	3	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){1|C<3>,1|N<3>}	124.4430	0.000	1	124.4430	0.000	1	126.1170	2.136	3	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]N[5a,5a]C[5a])(COO)(H)2	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(C[5a]N[5a,5a]C[5a])(COO)(H)2	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	133.2343	0.090	3	133.2343	0.008	3	133.2343	0.008	3	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]N[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	132.8820	0.000	1	132.8820	0.000	1	132.8820	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN)	C(C[5a]N[5a,6a]C[5a])(NCC)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN){1|N<2>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(NCC)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.9540	1.041	3	129.9540	1.083	3	131.0860	5.848	4	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN){1|H<1>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	134.4820	0.000	1	134.4820	0.000	1	131.0860	5.848	4	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH)	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH){1|H<1>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	133.6840	0.000	1	133.6840	0.000	1	133.6840	0.000	1	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|O<2>}	131.7870	0.000	1	131.7870	0.000	1	132.1490	0.262	2	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	132.5110	0.000	1	132.5110	0.000	1	132.1490	0.262	2	129.4743	10.703	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	125.0400	0.373	2	125.0400	0.139	2	125.0400	0.139	2	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(CCHH){1|H<1>,2|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	128.1920	0.651	2	128.1920	0.423	2	128.1920	0.423	2	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	127.1600	0.620	7	127.1600	0.385	7	127.1600	0.385	7	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	127.6218	0.709	14	127.6218	0.503	14	127.6218	0.503	14	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	122.8900	0.000	1	122.8900	0.000	1	122.8900	0.000	1	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	126.5220	0.000	1	126.5220	0.000	1	126.5220	0.000	1	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<2>}	130.7080	0.000	1	130.7080	0.000	1	129.0588	3.355	6	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	130.4270	0.000	2	130.4270	0.000	2	129.0588	3.355	6	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	126.0380	0.000	1	126.0380	0.000	1	129.0588	3.355	6	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CC[6a]HH){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	128.3765	0.504	2	128.3765	0.254	2	129.0588	3.355	6	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	128.2320	0.000	1	128.2320	0.000	1	129.0300	1.274	2	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	129.8280	0.000	1	129.8280	0.000	1	129.0300	1.274	2	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	130.2890	0.000	1	130.2890	0.000	1	130.2890	0.000	1	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	132.4560	1.824	2	132.4560	3.328	2	133.3020	3.811	3	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCS)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCS)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN){1|C<4>}	134.9940	0.000	1	134.9940	0.000	1	133.3020	3.811	3	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|Cu<4>,1|C<4>}	130.3235	0.036	2	130.3235	0.001	2	130.3235	0.001	2	128.1940	4.890	41	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.3880	0.000	1	128.3880	0.000	1	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.2410	0.000	1	127.2410	0.000	1	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCI)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCI)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.5900	0.000	1	125.5900	0.000	1	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.5150	0.000	1	126.5150	0.000	1	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.8170	0.274	2	126.8170	0.075	2	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.8420	0.000	1	127.8420	0.000	1	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.9950	0.000	1	126.9950	0.000	1	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.4520	0.000	2	125.4520	0.000	2	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.9644	1.167	10	126.9644	1.363	10	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	129.4440	0.000	1	129.4440	0.000	1	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	126.7605	0.661	2	125.7856	1.963	16	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.6990	2.290	2	125.7856	1.963	16	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.8050	0.000	1	125.7856	1.963	16	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	124.6120	0.000	1	125.7856	1.963	16	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	122.0850	0.000	1	125.7856	1.963	16	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.1276	0.846	9	125.7856	1.963	16	126.4531	1.947	37	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.4810	0.000	1	128.4810	0.000	1	128.0161	0.335	7	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.1405	0.614	2	128.1405	0.378	2	128.0161	0.335	7	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	127.5410	0.000	1	127.8377	0.420	4	128.0161	0.335	7	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.9367	0.756	3	127.8377	0.420	4	128.0161	0.335	7	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.7170	0.000	1	128.7170	0.000	1	126.4040	10.700	2	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.0910	0.000	1	124.0910	0.000	1	126.4040	10.700	2	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.7798	0.895	5	126.4388	1.338	6	125.6134	4.402	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.7340	0.000	1	126.4388	1.338	6	125.6134	4.402	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.3170	0.000	1	128.3170	0.000	1	125.6134	4.402	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|N<3>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	123.6320	0.177	2	123.6320	0.031	2	125.6134	4.402	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	121.9200	0.000	1	121.9200	0.000	1	125.6134	4.402	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.0652	0.727	4	127.0652	0.528	4	126.9540	0.458	5	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.5090	0.000	1	126.5090	0.000	1	126.9540	0.458	5	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.4333	0.109	3	126.4333	0.012	3	126.4333	0.012	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	124.3230	0.000	1	124.3230	0.000	1	123.9340	0.171	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|N<3>}	123.5000	0.000	1	123.5000	0.000	1	123.9340	0.171	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|Cl<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>}	123.9790	0.000	1	123.9790	0.000	1	123.9340	0.171	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,3|C<3>}	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<3>}	125.5200	0.000	1	125.5200	0.000	1	125.5200	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH)	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH){1|H<1>}	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	129.4905	0.076	2	129.4905	0.006	2	128.3127	1.879	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	127.1350	0.286	2	127.1350	0.082	2	128.3127	1.879	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	126.9160	0.351	2	126.9160	0.123	2	127.5138	0.558	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	128.1115	0.349	2	128.1115	0.122	2	127.5138	0.558	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<3>,1|H<1>}	123.9390	0.000	1	123.9390	0.000	1	123.9390	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)2(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	124.3660	0.830	2	124.3660	0.689	2	124.3660	0.689	2	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	121.5115	0.432	2	121.5115	0.187	2	121.5115	0.187	2	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH){1|S<4>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H){1|C<3>}	126.5580	0.000	1	126.5580	0.000	1	126.5580	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	126.1240	0.000	1	126.1240	0.000	1	126.1240	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]2)(NCS)(H)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHN){1|Br<1>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(NCS)(H)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	122.5637	1.020	4	122.5637	1.040	4	122.5637	1.040	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a]2)(NC[6a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){3|C<3>}	C(C[5a]C[5a]2)(NC[6a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	124.8950	0.000	1	124.8950	0.000	1	124.8950	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CN[6]HH)	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CN[6]HH){1|H<1>}	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	125.0200	0.000	1	125.0200	0.000	1	125.0200	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HH)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HH){2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.7420	0.000	1	130.7420	0.000	1	130.7420	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.4040	0.000	1	129.4040	0.000	1	129.4040	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	128.0500	0.000	1	128.0500	0.000	1	130.3784	1.139	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.5360	0.487	4	130.5360	0.238	4	130.3784	1.139	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.6245	0.404	2	130.6245	0.163	2	130.3784	1.139	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	131.5840	0.000	1	131.5840	0.000	1	130.3784	1.139	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]H)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.1990	0.000	1	134.1990	0.000	1	134.1990	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	131.0990	0.000	1	131.0990	0.000	1	129.7712	3.396	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.1450	0.788	2	130.9888	1.056	5	129.7712	3.396	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.5513	0.785	3	130.9888	1.056	5	129.7712	3.396	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	127.9172	1.066	4	127.9172	1.137	4	129.7712	3.396	10	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	127.6360	0.082	3	127.6360	0.007	3	127.6360	0.007	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	127.0200	0.000	1	127.0200	0.000	1	128.6767	1.649	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	130.1480	0.000	1	130.1480	0.000	1	128.6767	1.649	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	128.7695	0.142	2	128.7695	0.020	2	128.6767	1.649	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.2812	0.280	5	130.2812	0.078	5	130.2812	0.078	5	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	127.6470	0.000	1	127.6470	0.000	1	128.4130	0.476	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	128.9860	0.000	1	128.9860	0.000	1	128.4130	0.476	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NHS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NHS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	128.6060	0.000	1	128.6060	0.000	1	128.4130	0.476	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	128.7340	0.000	1	128.7340	0.000	1	128.7340	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NSS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NSS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|H<1>,3|C<3>}	129.0550	0.000	1	129.0550	0.000	1	129.0550	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	128.6727	0.773	3	128.8820	0.241	7	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	129.0390	0.085	4	128.8820	0.241	7	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]Al)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]Al)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	128.7320	0.185	2	128.7320	0.034	2	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.1000	0.000	1	131.1000	0.000	1	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.3693	1.156	10	131.3204	1.260	32	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.3821	1.090	21	131.3204	1.260	32	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	129.5370	0.000	1	131.3204	1.260	32	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.3825	0.944	2	131.3825	0.891	2	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.1830	0.000	1	131.1830	0.000	1	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NZnC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NZnC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	133.5895	1.272	2	133.5895	1.618	2	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NCS)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	131.3630	0.000	1	131.3630	0.000	1	130.9475	2.165	48	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CN[5]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	127.1890	0.000	1	127.1890	0.000	1	127.1890	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.4965	0.095	2	130.4965	0.009	2	131.1813	1.109	11	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.3641	1.187	8	131.3641	1.410	8	131.1813	1.109	11	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	131.0880	0.000	1	131.0880	0.000	1	131.1813	1.109	11	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.8475	0.682	2	130.8475	0.466	2	130.8475	0.466	2	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[6]HH){2|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.4150	1.696	2	130.4150	2.875	2	130.4150	2.875	2	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:P-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.9350	0.390	4	130.9350	0.152	4	130.9350	0.152	4	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	129.9810	0.000	1	128.3817	2.020	3	128.3817	2.020	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.5820	0.450	2	128.3817	2.020	3	128.3817	2.020	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<2>,1|C<4>}	131.7845	3.160	2	131.7845	9.986	2	131.7845	9.986	2	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]N[5a,6a]C[5a])(NCC)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(NCC)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H){2|C<3>}	129.1680	0.000	1	129.1680	0.000	1	129.1680	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:F-1:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF)	C(C[5a]C[5a]N[5a])(CNO)(F)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CNO)(F)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.9970	0.000	1	130.9970	0.000	1	130.9970	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	129.3100	0.000	1	129.3100	0.000	1	129.3100	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	126.9030	0.000	1	126.9030	0.000	1	128.8997	3.065	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	130.1720	0.000	1	130.1720	0.000	1	128.8997	3.065	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	129.6240	0.000	1	129.6240	0.000	1	128.8997	3.065	3	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]HH)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<4>}	130.7555	0.070	2	130.7555	0.005	2	128.5662	3.593	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]HH)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Rh<4>,1|C<4>}	127.8365	1.573	6	127.8365	2.473	6	128.5662	3.593	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<6>,1|C<4>}	130.2260	0.000	1	130.2260	0.000	1	130.1929	5.000	9	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|C<4>}	131.3580	0.000	1	131.3580	0.000	1	130.1929	5.000	9	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	133.3140	0.416	2	133.3140	0.173	2	130.1929	5.000	9	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<6>,1|C<3>}	131.0580	0.000	1	131.0580	0.000	1	130.1929	5.000	9	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	128.1165	0.574	4	128.1165	0.330	4	130.1929	5.000	9	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ge<2>,1|C<4>}	135.4600	0.556	2	135.4600	0.309	2	133.7546	4.216	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<4>}	133.9866	0.746	5	133.9866	0.556	5	133.7546	4.216	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(CN[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a](C[5a]N[5a]C)2(H){1|Pt<4>}	129.1840	0.000	1	129.1840	0.000	1	133.7546	4.216	8	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH){4|C<3>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	127.4260	0.000	1	127.4260	0.000	1	127.4260	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP){2|H<1>,2|N<3>}	C(C[5a]C[5a]N[5a])(PCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Si<3>,1|H<1>}	129.5950	0.000	1	129.5950	0.000	1	129.5950	0.000	1	128.7619	8.056	235	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(S[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	124.1260	0.000	1	124.1260	0.000	1	124.1260	0.000	1	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<3>}	121.4465	0.077	2	121.4465	0.006	2	121.4465	0.006	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	129.6100	0.000	1	128.8445	1.172	2	128.8445	1.172	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|I<1>,2|C<3>}	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	128.0790	0.000	1	128.8445	1.172	2	128.8445	1.172	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	126.0980	0.776	2	126.0980	0.603	2	126.0980	0.603	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CN){1|C<3>}	124.5013	0.737	6	124.5013	0.543	6	124.5013	0.543	6	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH){1|S<4>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,3|H<1>}	128.4680	0.000	1	128.4680	0.000	1	127.6033	5.655	3	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){1|H<1>,4|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	127.1710	3.192	2	127.1710	10.188	2	127.6033	5.655	3	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	129.1182	0.851	6	129.1182	0.723	6	129.1182	0.723	6	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	126.5080	0.000	2	126.5080	0.000	2	126.5080	0.000	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]2)(NCS)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHN){1|Br<1>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(NCS)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	124.5885	0.417	4	124.5885	0.174	4	124.5885	0.174	4	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a]2)(NC[6a]H)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){3|C<3>}	C(C[5a]C[5a]2)(NC[6a]H)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	130.4020	0.000	1	130.4020	0.000	1	125.8845	40.816	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CHHN)	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CHHN){2|C<3>}	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	121.3670	0.000	1	121.3670	0.000	1	125.8845	40.816	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	129.9040	0.000	1	129.9040	0.000	1	129.0847	0.308	4	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]2)(NC[6a]C)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){3|C<3>}	C(C[5a]C[5a]2)(NC[6a]C)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	128.8117	0.120	3	128.8117	0.014	3	129.0847	0.308	4	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	125.8560	0.000	1	125.8560	0.000	1	125.8560	0.000	1	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	127.1190	0.000	1	127.1190	0.000	1	127.1190	0.000	1	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	127.5135	1.146	2	127.5135	1.314	2	127.5135	1.314	2	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN){4|C<3>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	136.9190	0.000	1	136.9190	0.000	1	136.9190	0.000	1	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.1530	0.000	1	132.1530	0.000	1	132.1530	0.000	1	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	129.9560	0.000	1	129.9560	0.000	1	129.9560	0.000	1	126.9605	9.578	42	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCO)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CCO)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCO)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CCO){1|C<3>,1|C<4>}	123.0700	0.000	1	123.0700	0.000	1	123.0700	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	122.1165	1.184	2	122.1165	1.403	2	122.1645	1.351	15	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	122.2556	0.357	5	122.1719	1.459	13	122.1645	1.351	15	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	122.1196	1.556	8	122.1719	1.459	13	122.1645	1.351	15	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	126.9640	0.000	1	126.9640	0.000	1	128.5255	4.877	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NCS){2|C<3>}	130.0870	0.000	1	130.0870	0.000	1	128.5255	4.877	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|N<3>,1|O<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.8960	0.000	1	126.8960	0.000	1	126.8960	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	127.0150	0.000	1	127.9340	1.689	2	127.9340	1.689	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	128.8530	0.000	1	127.9340	1.689	2	127.9340	1.689	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	128.9820	0.000	1	128.9820	0.000	1	128.9820	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|N<2>,5|C<3>}	125.6850	0.000	1	125.6850	0.000	1	125.6850	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|N<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	128.0895	1.303	2	128.0895	1.698	2	128.0895	1.698	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<4>}	126.9780	0.000	1	126.9780	0.000	1	126.9780	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,3|C<3>}	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	128.0390	0.000	1	128.0390	0.000	1	128.0390	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|Cl<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	128.0050	0.000	1	128.0050	0.000	1	128.0050	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]C)(CHH)	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]C)(CHH){1|C<4>,1|H<1>}	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	127.9770	0.000	1	129.0160	2.159	2	129.0160	2.159	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	130.0550	0.000	1	129.0160	2.159	2	129.0160	2.159	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(NOO){3|C<3>}	126.5710	0.000	1	126.5710	0.000	1	126.5710	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){1|H<1>,4|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	127.9565	3.294	2	127.9565	10.853	2	127.9565	10.853	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	126.1445	0.704	2	126.1445	0.495	2	126.1445	0.495	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	128.3170	0.000	1	128.3170	0.000	1	128.3170	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO){1|C<3>,1|H<1>}	125.6860	0.000	1	125.6860	0.000	1	125.6860	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	128.5930	0.000	1	128.5930	0.000	1	128.5930	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	123.8090	0.000	1	123.8090	0.000	1	123.8090	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	124.1640	0.000	1	124.1640	0.000	1	124.1640	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|C<4>,1|O<1>,2|N<3>}	131.7290	0.000	1	131.7290	0.000	1	129.5390	9.592	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	127.3490	0.000	1	127.3490	0.000	1	129.5390	9.592	2	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO){1|C<4>,1|H<1>,2|C<3>}	129.1160	0.000	1	129.1160	0.000	1	130.1240	1.014	3	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO){2|C<3>,2|H<1>}	130.6280	0.710	2	130.6280	0.504	2	130.1240	1.014	3	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH){2|N<3>,4|C<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	130.1020	0.000	1	130.1020	0.000	1	130.1020	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	131.0474	0.944	7	131.0474	0.891	7	131.0474	0.891	7	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	131.0927	0.937	4	130.7373	0.785	7	130.5712	0.708	11	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	130.2633	0.669	3	130.7373	0.785	7	130.5712	0.708	11	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	130.2805	0.784	4	130.2805	0.614	4	130.5712	0.708	11	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	129.9280	0.000	1	129.9280	0.000	1	127.7608	2.219	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	126.7905	0.163	2	126.7905	0.027	2	127.7608	2.219	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	127.5340	0.000	1	127.5340	0.000	1	127.7608	2.219	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	130.7750	0.000	1	130.7750	0.000	1	130.7750	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO){1|C<3>,1|H<1>}	131.7990	0.000	1	131.7990	0.000	1	131.1405	0.817	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	131.6900	0.000	1	131.6900	0.000	1	131.1405	0.817	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	131.2390	0.000	1	131.2390	0.000	1	131.1405	0.817	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH){1|O<2>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(COO){1|H<1>}	129.8340	0.000	1	129.8340	0.000	1	131.1405	0.817	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH){1|Se<2>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,3|H<1>}	128.4440	0.000	1	128.4440	0.000	1	128.4440	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	127.6380	0.000	1	127.6380	0.000	1	125.1993	7.964	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	122.7890	0.809	2	122.7890	0.654	2	125.1993	7.964	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]S)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]S)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	127.5810	0.000	1	127.5810	0.000	1	125.1993	7.964	4	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCHH)	C(C[5a]N[5,5a]C[5a])(COO)(H)2	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,2|O<1>,4|C<3>}	C(C[5a]N[5,5a]C[5a])(COO)(H)2	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	132.0730	0.000	1	132.0730	0.000	1	132.0730	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN)	C(C[5a]N[5a,6a]C[5a])(NC[6a]C)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN){1|H<1>,5|C<3>}	C(C[5a]N[5a,6a]C[5a])(NC[6a]C)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	132.0370	0.000	1	132.0370	0.000	1	132.0370	0.000	1	127.5807	11.718	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,3|C<4>}	C(C[5a]C[5a,6]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3){1|C<3>,1|C<4>}	126.0680	0.000	1	126.0680	0.000	1	126.0680	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	125.3460	0.163	2	125.3460	0.026	2	126.8081	1.974	25	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	127.5920	0.000	1	127.5920	0.000	1	126.8081	1.974	25	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	126.9357	0.749	3	126.9357	0.561	3	126.8081	1.974	25	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	131.9630	0.000	1	131.9630	0.000	1	126.8081	1.974	25	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	127.0080	0.000	1	126.6409	0.934	16	126.8081	1.974	25	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	126.6164	0.995	15	126.6409	0.934	16	126.8081	1.974	25	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	126.4475	0.009	2	126.4475	0.000	2	126.8081	1.974	25	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	128.0975	0.614	2	128.0975	0.378	2	128.3635	0.455	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	128.0360	0.000	1	128.6295	0.704	2	128.3635	0.455	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	129.2230	0.000	1	128.6295	0.704	2	128.3635	0.455	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	127.4169	0.585	9	127.4169	0.343	9	127.4169	0.343	9	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN){2|C<3>}	127.3530	0.000	1	127.3530	0.000	1	126.7344	1.172	7	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	126.6990	0.000	1	126.6990	0.000	1	126.7344	1.172	7	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	127.3900	0.000	1	127.3900	0.000	1	126.7344	1.172	7	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	126.4247	1.395	4	126.4247	1.945	4	126.7344	1.172	7	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCS)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NCS)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	126.4590	0.000	1	126.4590	0.000	1	126.4590	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	127.6150	1.788	2	127.6150	3.195	2	126.2156	3.518	5	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	126.2950	0.000	1	126.2950	0.000	1	126.2156	3.518	5	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCHH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCHH){1|C<3>}	123.5910	0.000	1	123.5910	0.000	1	126.2156	3.518	5	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]I)(CCHH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|I<1>,2|C<3>}	C(C[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]I)(CCHH){1|C<3>}	125.9620	0.000	1	125.9620	0.000	1	126.2156	3.518	5	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){1|C<3>,1|C<4>}	126.1330	0.000	1	126.1330	0.000	1	126.1330	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	125.3280	0.816	2	125.3280	0.666	2	125.3280	0.666	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH){1|H<1>}	127.9830	1.454	2	127.9830	2.114	2	127.9830	2.114	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	127.5103	0.732	7	127.4485	0.490	8	127.4485	0.490	8	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|Zn<4>,1|C<3>}	127.0160	0.000	1	127.4485	0.490	8	127.4485	0.490	8	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH){1|C<4>}	124.6320	0.000	1	124.6320	0.000	1	124.6320	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	128.3970	0.921	2	128.3970	0.848	2	127.4516	0.768	16	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	127.3166	0.815	14	127.3166	0.664	14	127.4516	0.768	16	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	123.5300	0.034	2	123.5300	0.001	2	123.5300	0.001	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	126.4270	0.000	1	126.4270	0.000	1	126.6783	1.189	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[6a]HH){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	126.0350	0.557	2	126.0350	0.310	2	126.6783	1.189	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<3>}	128.2160	0.000	1	128.2160	0.000	1	126.6783	1.189	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(NCC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN){1|C<3>}	123.3740	0.000	1	123.3740	0.000	1	124.0995	0.238	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]2)(NC[6a]C)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){3|C<3>}	C(C[5a]C[5a]2)(NC[6a]C)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN){3|C<3>}	124.3413	0.080	3	124.3413	0.006	3	124.0995	0.238	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH){1|Pd<4>,1|C<4>}	128.8640	2.230	2	128.8640	4.974	2	128.8640	4.974	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH){2|C<4>}	124.4170	1.416	2	124.4170	2.004	2	124.4170	2.004	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH){1|Pd<4>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH){1|Pd<4>,1|C<4>}	127.7835	0.046	2	127.7835	0.002	2	127.7835	0.002	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH){1|Pd<4>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH){2|C<4>}	125.8010	0.305	2	125.8010	0.093	2	125.8010	0.093	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	130.5680	0.000	1	130.5680	0.000	1	130.5680	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CCO)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	131.1070	0.000	1	131.1070	0.000	1	131.1100	0.517	5	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|C<4>}	C(C[5a]C[5a]N[5a])(CC[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	131.1107	0.830	4	131.1107	0.689	4	131.1100	0.517	5	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	127.1050	0.000	1	127.1050	0.000	1	127.1050	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	130.2278	0.710	6	130.4031	0.466	8	130.4031	0.466	8	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){2|C<4>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	130.9290	0.057	2	130.4031	0.466	8	130.4031	0.466	8	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN){2|C<3>,2|H<1>}	128.5290	0.000	1	128.5290	0.000	1	127.8947	0.308	3	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	127.4960	0.000	1	127.4960	0.000	1	127.8947	0.308	3	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	127.6590	0.000	1	127.6590	0.000	1	127.8947	0.308	3	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	129.6600	0.000	1	129.6600	0.000	1	129.6600	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHHN){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	130.2780	0.621	2	130.2780	0.385	2	130.2780	0.385	2	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	126.6510	0.000	1	126.6510	0.000	1	126.6510	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	129.9840	0.000	1	129.9840	0.000	1	129.9840	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|C<3>}	128.2510	0.000	1	128.2510	0.000	1	128.2510	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH)	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	126.7520	0.000	1	126.7520	0.000	1	126.7520	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	124.0377	3.352	4	124.0377	11.238	4	124.0377	11.238	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.2670	0.000	1	130.2670	0.000	1	130.2670	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|O<1>}	130.5230	0.000	1	130.5230	0.000	1	130.5230	0.000	1	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH){2|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH){1|Pd<4>,1|C<4>}	133.4405	1.466	2	133.4405	2.149	2	133.3960	1.443	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH){2|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH){1|Pd<4>,1|C<4>}	133.3515	1.474	2	133.3515	2.174	2	133.3960	1.443	4	127.4557	5.431	136	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:4:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C){2|H<1>,3|C<3>,3|C<4>}	123.9350	0.000	1	123.9350	0.000	1	123.9350	0.000	1	127.6020	26.894	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|C<4>,3|C<3>,4|H<1>}	131.2690	0.000	1	131.2690	0.000	1	131.2690	0.000	1	127.6020	26.894	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	130.4150	0.000	1	130.4150	0.000	1	130.4150	0.000	1	130.4150	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	123.9830	0.000	1	123.9830	0.000	1	123.9830	0.000	1	127.3533	18.357	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	125.9020	0.000	1	125.9020	0.000	1	125.9020	0.000	1	127.3533	18.357	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|C<3>}	132.1750	0.000	1	132.1750	0.000	1	132.1750	0.000	1	127.3533	18.357	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[5a]-3:O[5a]-2:O-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC){1|C<3>}	127.8120	0.000	1	127.8120	0.000	1	127.8120	0.000	1	127.8120	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO){2|C<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	124.5400	0.000	1	124.5400	0.000	1	124.5400	0.000	1	125.0113	0.167	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO)	C(C[5a]C[5a]2)2(OH)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO){1|H<1>}	C(C[5a]C[5a]2)2(OH)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){2|H<1>}	125.2470	0.035	2	125.2470	0.001	2	125.2470	0.001	2	125.0113	0.167	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	133.2120	0.000	1	133.2120	0.000	1	133.2120	0.000	1	133.2120	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.3340	0.000	1	125.3340	0.000	1	125.3340	0.000	1	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.7570	0.000	1	125.7570	0.000	1	125.7570	0.000	1	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.0000	0.000	1	127.0000	0.000	1	127.2620	0.137	2	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.5240	0.000	1	127.5240	0.000	1	127.2620	0.137	2	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO)	C(C[5a]C[5a]2)2(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO){1|H<1>}	C(C[5a]C[5a]2)2(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	123.1665	0.025	2	123.1665	0.001	2	123.1665	0.001	2	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.4590	0.287	2	130.4590	0.082	2	130.4590	0.082	2	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHNO)	C(C[5a]C[5a]N[5a])(NCN)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHNO){2|C<3>}	C(C[5a]C[5a]N[5a])(NCN)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.3340	0.000	1	129.3340	0.000	1	129.3340	0.000	1	126.3977	9.678	10	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|C<3>,2|H<1>}	129.1240	0.000	1	129.1240	0.000	1	129.1240	0.000	1	130.6407	2.607	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	131.3990	1.328	2	131.3990	1.763	2	131.3990	1.763	2	130.6407	2.607	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){1|C<4>,3|C<3>}	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){2|C<3>}	128.2780	0.000	1	128.2780	0.000	1	127.6955	0.679	2	125.3290	4.838	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){4|C<3>}	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<3>}	127.1130	0.000	1	127.1130	0.000	1	127.6955	0.679	2	125.3290	4.838	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-2:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){1|C<4>,3|C<3>}	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	123.7990	0.000	1	124.0625	0.139	2	124.0625	0.139	2	125.3290	4.838	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-2:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){4|C<3>}	C(C[5a]C[5a]2)(CNO)(CN)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.3260	0.000	1	124.0625	0.139	2	124.0625	0.139	2	125.3290	4.838	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:S-2:H-1:	N[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<4>,2|C<3>}	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	125.3290	4.838	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	126.0380	0.000	1	126.0380	0.000	1	126.0380	0.000	1	125.3290	4.838	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	129.9270	0.000	1	129.9270	0.000	1	129.9270	0.000	1	129.0090	4.955	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	129.0090	4.955	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO)	C(C[5a]C[5a]N[5a])2(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])2(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	130.6140	1.486	2	130.6140	2.209	2	130.6140	2.209	2	129.0090	4.955	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	128.1890	0.000	1	128.1890	0.000	1	128.1890	0.000	1	129.0090	4.955	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:B[5]-3:B[5]-3:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H)	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	128.2220	0.000	1	128.2220	0.000	1	128.2220	0.000	1	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCCH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	125.6640	0.000	1	125.6640	0.000	1	125.6640	0.000	1	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCCH)	C(C[5a]C[5a]2)(COO)2(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCCH){1|H<1>}	C(C[5a]C[5a]2)(COO)2(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	123.3840	1.328	2	123.3840	1.763	2	123.3840	1.763	2	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHN)	C(C[5a]C[5a]2)(CNO)(NCN)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHN){1|H<1>}	C(C[5a]C[5a]2)(CNO)(NCN)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H)	C(C[5a]C[5a]2)3(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H){1|C<3>}	C(C[5a]C[5a]2)3(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	124.0107	1.298	3	124.0107	1.686	3	124.0107	1.686	3	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN){1|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){2|C<4>}	124.7380	0.000	1	124.7380	0.000	1	124.7380	0.000	1	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){1|C<3>,1|H<1>}	123.0290	0.000	1	123.0290	0.000	1	123.0290	0.000	1	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[6a]2H){1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	132.6320	0.000	1	132.6320	0.000	1	132.6320	0.000	1	125.2058	8.224	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H){1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH){2|H<1>}	126.3850	1.048	2	126.3850	1.098	2	126.3850	1.098	2	127.8810	7.263	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN){1|H<1>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.8730	0.000	1	130.8730	0.000	1	130.8730	0.000	1	127.8810	7.263	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH){1|C<3>,2|C<4>}	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	126.0330	0.000	1	126.0330	0.000	1	126.0330	0.000	1	127.2092	5.011	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	127.2092	5.011	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	125.2100	0.000	1	125.2100	0.000	1	125.2100	0.000	1	127.2092	5.011	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	127.2520	0.000	1	127.2520	0.000	1	127.2520	0.000	1	127.2092	5.011	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SC[6a]OO)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	130.9840	0.000	1	130.9840	0.000	1	130.9840	0.000	1	127.2092	5.011	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<2>,1|C<3>}	127.2430	0.000	1	127.2430	0.000	1	127.2430	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.0230	0.000	1	125.0230	0.000	1	125.3110	0.166	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(COO)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(COO)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.5990	0.000	1	125.5990	0.000	1	125.3110	0.166	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	127.8890	0.000	1	127.8890	0.000	1	127.8890	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.2610	0.000	1	127.2610	0.000	1	127.6120	1.174	7	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.9825	0.795	4	127.9825	0.632	4	127.6120	1.174	7	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.0465	1.958	2	127.0465	3.834	2	127.6120	1.174	7	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.8880	0.000	1	128.8880	0.000	1	127.3720	1.181	4	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])3(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])3(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.8667	0.489	3	126.8667	0.240	3	127.3720	1.181	4	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	129.0130	0.464	2	129.0130	0.215	2	129.0130	0.215	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.6960	0.000	1	125.6960	0.000	1	127.9090	2.485	7	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.9090	0.000	1	128.9090	0.000	1	127.9090	2.485	7	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	130.7880	0.000	1	130.7880	0.000	1	127.9090	2.485	7	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.4925	0.098	4	127.4925	0.010	4	127.9090	2.485	7	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){2|C<3>,2|N<2>}	127.6030	0.000	1	127.6030	0.000	1	127.6030	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.9380	0.000	1	127.9335	0.000	2	127.9335	0.000	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.9290	0.000	1	127.9335	0.000	2	127.9335	0.000	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.5410	0.000	1	128.5410	0.000	1	127.8960	0.440	5	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.1950	0.000	1	128.1950	0.000	1	127.8960	0.440	5	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.7830	0.000	1	126.7830	0.000	1	127.8960	0.440	5	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.9805	0.026	2	127.9805	0.001	2	127.8960	0.440	5	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH)	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	124.0850	0.085	2	124.0850	0.007	2	124.0850	0.007	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCCH)	C(C[5a]C[5a]2)(COO)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCCH){1|H<1>}	C(C[5a]C[5a]2)(COO)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	126.3735	1.152	2	126.3735	1.327	2	126.3735	1.327	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHN)	C(C[5a]C[5a]2)(CNO)(NCN)(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHN){1|H<1>}	C(C[5a]C[5a]2)(CNO)(NCN)(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H)	C(C[5a]C[5a]2)3(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H){1|C<3>}	C(C[5a]C[5a]2)3(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|H<1>}	124.5863	1.356	3	124.5863	1.838	3	124.5863	1.838	3	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H){1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|N<3>}	129.9330	1.216	2	129.9330	1.479	2	129.9330	1.479	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH){2|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|C<4>}	127.8230	0.000	1	127.8230	0.000	1	127.8230	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	125.3680	0.000	1	125.3680	0.000	1	125.3680	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN){2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	125.2190	0.000	1	125.2190	0.000	1	125.2190	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN){2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	127.6250	0.000	1	127.6250	0.000	1	127.6250	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	121.7660	0.000	1	121.7660	0.000	1	121.7660	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	127.7355	0.086	2	127.7355	0.007	2	127.7355	0.007	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	126.3020	0.000	1	126.3020	0.000	1	126.3020	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHN)	C(C[5a]C[5a]N[5a])(CCC)(NHS)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHN){2|C<3>}	C(C[5a]C[5a]N[5a])(CCC)(NHS)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	128.3170	0.000	1	128.3170	0.000	1	128.3170	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:C-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCO)(C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCO)(C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.5500	1.151	2	131.5500	1.325	2	131.5500	1.325	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H){2|H<1>}	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.7730	2.480	4	131.7730	6.152	4	131.7730	6.152	4	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	133.3500	0.000	1	133.3500	0.000	1	133.3500	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HN){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	128.4070	0.000	1	128.4070	0.000	1	128.4070	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HN){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.0730	0.000	1	131.0730	0.000	1	131.0730	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHN)	C(C[5a]C[5a]N[5a])(NC[6a]C)(CNO)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]C)(CNO)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.0650	0.000	1	130.0650	0.000	1	130.0650	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	128.2885	0.422	2	128.2885	0.178	2	128.2885	0.178	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	129.4630	0.000	1	129.4630	0.000	1	129.4630	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H){1|N<2>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H){1|N<3>,3|C<3>}	129.6720	0.031	2	129.6720	0.001	2	129.6720	0.001	2	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	127.4240	0.000	1	127.4240	0.000	1	127.4240	0.000	1	127.8766	5.350	67	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-3:C-3:H-1:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN)	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SC){2|C<3>}	130.4340	0.000	1	130.4340	0.000	1	130.4340	0.000	1	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH)	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	128.1640	1.358	2	128.1640	1.843	2	128.1640	1.843	2	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	125.6500	0.000	1	125.6500	0.000	1	125.6500	0.000	1	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN){3|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.6000	0.580	3	127.6000	0.336	3	127.6000	0.336	3	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	131.0450	0.000	1	131.0450	0.000	1	131.0450	0.000	1	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H){4|C<3>}	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	133.2920	0.000	1	133.2920	0.000	1	133.2920	0.000	1	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCC)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCC)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	133.6940	0.000	1	133.6940	0.000	1	131.5570	9.134	2	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	129.4200	0.000	1	129.4200	0.000	1	131.5570	9.134	2	129.3889	6.098	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.7160	0.000	1	125.7160	0.000	1	125.7160	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	129.3330	0.690	2	129.3330	0.476	2	129.3330	0.476	2	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H){1|N<2>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	128.6210	0.000	1	128.6210	0.000	1	128.6210	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.8250	0.000	1	125.8250	0.000	1	125.8250	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:S-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCO){2|C<3>}	123.7250	0.000	1	123.7250	0.000	1	123.7250	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH)	C(C[5a]C[5a]2)(COO)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH){4|C<3>}	C(C[5a]C[5a]2)(COO)2(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|O<1>,1|O<2>,2|C<3>}	127.3790	0.000	1	127.3790	0.000	1	127.3790	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH)	C(C[5a]C[5a]2)(COO)2(H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH){4|C<3>}	C(C[5a]C[5a]2)(COO)2(H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH)	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH){1|C<3>}	127.6700	1.130	2	127.6700	1.277	2	127.6700	1.277	2	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H){1|O<1>,2|C<3>,2|H<1>}	130.3560	0.000	1	130.3560	0.000	1	130.3560	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){1|C<2>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	128.8343	0.799	3	128.8343	0.638	3	128.8343	0.638	3	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	128.2535	0.340	4	128.4872	0.360	5	128.6697	0.500	7	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|N<3>,3|H<1>,4|C<3>}	129.4220	0.000	1	128.4872	0.360	5	128.6697	0.500	7	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	129.1260	0.990	2	129.1260	0.980	2	128.6697	0.500	7	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	131.0110	0.000	1	131.0110	0.000	1	131.0110	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,2|O<2>,4|C<3>}	128.6950	0.000	1	128.6950	0.000	1	128.6950	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CC[6a]HN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC){1|C<3>,1|H<1>}	132.9480	0.000	1	132.9480	0.000	1	132.9480	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H){1|H<1>,5|C<3>}	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.2780	0.000	1	128.2780	0.000	1	128.2780	0.000	1	128.3133	4.024	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	130.3395	0.862	2	130.3395	0.743	2	130.3395	0.743	2	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:S-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCOO){2|C<3>}	126.9330	0.547	2	126.9330	0.300	2	126.9330	0.300	2	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:B-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	125.3080	0.000	1	125.3080	0.000	1	125.3080	0.000	1	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH){2|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	124.7980	0.000	1	124.7980	0.000	1	124.7980	0.000	1	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>}	126.5120	0.000	1	126.5120	0.000	1	126.5120	0.000	1	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|C<3>}	129.1570	0.000	1	129.1570	0.000	1	129.1570	0.000	1	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){1|C<4>,2|C<3>}	125.9690	0.000	1	125.9690	0.000	1	125.4610	0.470	4	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN){3|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){3|C<3>}	125.2917	0.730	3	125.2917	0.532	3	125.4610	0.470	4	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	130.6270	0.000	1	130.6270	0.000	1	129.3535	3.244	2	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN){1|C<4>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3){1|O<1>}	128.0800	0.000	1	128.0800	0.000	1	129.3535	3.244	2	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	125.6830	0.025	2	125.6830	0.001	2	125.6830	0.001	2	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H){2|C<3>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	131.1390	0.000	1	131.1390	0.000	1	129.4754	3.081	9	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	133.3260	0.000	1	133.3260	0.000	1	129.4754	3.081	9	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	128.6877	0.672	7	128.6877	0.451	7	129.4754	3.081	9	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	129.3720	0.000	1	129.3720	0.000	1	129.3760	0.301	5	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	128.9600	0.652	2	129.3770	0.401	4	129.3760	0.301	5	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	129.7940	0.287	2	129.3770	0.401	4	129.3760	0.301	5	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]2H){1|C<4>,4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	131.0990	0.000	1	131.0990	0.000	1	131.0990	0.000	1	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	130.6970	0.000	1	130.6970	0.000	1	130.6970	0.000	1	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	130.7995	1.974	2	130.7995	3.895	2	130.8033	1.947	3	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	130.8110	0.000	1	130.8110	0.000	1	130.8033	1.947	3	128.5315	4.986	35	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(COO)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	127.4930	0.000	1	127.4930	0.000	1	127.4930	0.000	1	127.4930	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:O-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.1930	0.000	1	128.1930	0.000	1	128.1930	0.000	1	129.7826	6.871	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:C-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCO)	C(C[5a]C[5a]N[5a])(CCH)(COO)(OH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCO){2|H<1>}	C(C[5a]C[5a]N[5a])(CCH)(COO)(OH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	132.1910	0.860	2	132.1910	0.739	2	132.1910	0.739	2	129.7826	6.871	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]2O){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	126.2440	0.000	1	126.2440	0.000	1	126.2440	0.000	1	129.7826	6.871	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO){4|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	130.0940	0.000	1	130.0940	0.000	1	130.0940	0.000	1	129.7826	6.871	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.6720	0.000	1	129.6720	0.000	1	129.6720	0.000	1	129.6720	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS){2|C<3>,2|H<1>}	130.0480	0.000	1	130.0480	0.000	1	130.0480	0.000	1	131.2365	2.825	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	132.4250	0.000	1	132.4250	0.000	1	132.4250	0.000	1	131.2365	2.825	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:2:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	131.5230	0.000	1	131.5230	0.000	1	131.5230	0.000	1	131.5230	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]3)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Co<3>,1|C<3>}	125.6230	1.226	2	125.2817	1.101	3	125.2817	1.101	3	125.2817	1.101	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]3)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Co<8>,1|C<3>}	124.5990	0.000	1	125.2817	1.101	3	125.2817	1.101	3	125.2817	1.101	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.1130	0.000	1	128.1130	0.000	1	128.1130	0.000	1	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2C){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.2150	0.000	1	130.2150	0.000	1	130.2150	0.000	1	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5a]2C){2|Br<1>}	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br){1|Br<1>,1|H<1>}	132.5035	0.518	6	132.5035	0.268	6	132.5035	0.268	6	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	132.0855	0.408	2	130.9214	0.901	18	130.9214	0.901	18	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){2|H<1>}	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.7759	0.898	16	130.9214	0.901	18	130.9214	0.901	18	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]2C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]2C){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	133.3880	0.000	1	133.3880	0.000	1	133.3880	0.000	1	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<4>,1|C<3>}	130.7999	0.962	8	130.7999	0.926	8	130.5178	1.076	10	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	129.3895	0.138	2	129.3895	0.019	2	130.5178	1.076	10	131.0405	1.581	37	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	125.1580	0.000	1	125.1580	0.000	1	125.1580	0.000	1	129.6695	9.939	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	130.9260	1.520	2	130.9260	2.311	2	130.9260	2.311	2	129.6695	9.939	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	131.6680	0.000	1	131.6680	0.000	1	131.6680	0.000	1	129.6695	9.939	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH)	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	124.9775	0.120	2	124.9775	0.014	2	124.9775	0.014	2	128.1083	29.413	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS){3|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|C<3>}	134.3700	0.000	1	134.3700	0.000	1	134.3700	0.000	1	128.1083	29.413	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH)	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH){1|C<3>}	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<2>}	128.9390	0.000	1	128.9390	0.000	1	128.9390	0.000	1	127.7538	8.565	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	128.1215	4.690	2	128.1215	21.998	2	127.2597	10.560	6	127.7538	8.565	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	128.1560	0.000	1	128.1560	0.000	1	127.2597	10.560	6	127.7538	8.565	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	127.2095	4.707	2	127.2095	22.158	2	127.2597	10.560	6	127.7538	8.565	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	124.7400	0.000	1	124.7400	0.000	1	127.2597	10.560	6	127.7538	8.565	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	126.2700	0.000	1	126.2700	0.000	1	128.6435	11.267	2	127.7538	8.565	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	131.0170	0.000	1	131.0170	0.000	1	128.6435	11.267	2	127.7538	8.565	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.6770	0.000	1	127.6770	0.000	1	127.9090	0.108	2	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.1410	0.000	1	128.1410	0.000	1	127.9090	0.108	2	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:Br-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(Br){2|C<3>}	124.6130	0.000	1	124.6130	0.000	1	124.6130	0.000	1	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	129.2950	0.990	2	129.2950	0.980	2	129.0432	1.483	13	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.5560	0.000	1	128.5560	0.000	1	129.0432	1.483	13	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	129.6568	1.490	4	129.6568	2.221	4	129.0432	1.483	13	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.2110	0.000	1	128.2110	0.000	1	129.0432	1.483	13	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.5680	0.000	1	128.5680	0.000	1	129.0432	1.483	13	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.8653	1.854	3	128.8653	3.437	3	129.0432	1.483	13	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.4130	0.000	1	128.4130	0.000	1	129.0432	1.483	13	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|Si<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]C)(H){2|C<3>}	129.0240	0.000	1	129.0240	0.000	1	127.8473	4.168	3	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	125.4900	0.000	1	125.4900	0.000	1	127.8473	4.168	3	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.0280	0.000	1	129.0280	0.000	1	127.8473	4.168	3	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	127.5950	0.000	1	127.5950	0.000	1	127.5950	0.000	1	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	126.0370	1.240	2	126.0370	1.538	2	125.6233	1.282	3	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,3|C<3>}	124.7960	0.000	1	124.7960	0.000	1	125.6233	1.282	3	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC[6a]CH){2|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	132.4710	0.000	1	132.4710	0.000	1	132.4710	0.000	1	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	128.9660	0.000	1	128.9660	0.000	1	130.1045	2.592	2	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	131.2430	0.000	1	131.2430	0.000	1	130.1045	2.592	2	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.3835	0.658	2	131.3835	0.433	2	130.9605	0.941	6	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.1875	0.926	2	130.1875	0.857	2	130.9605	0.941	6	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	132.2100	0.000	1	132.2100	0.000	1	130.9605	0.941	6	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	130.4110	0.000	1	130.4110	0.000	1	130.9605	0.941	6	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	129.5095	0.480	2	129.5095	0.231	2	129.5095	0.231	2	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	133.3630	0.000	1	133.3630	0.000	1	133.3630	0.000	1	129.0152	4.482	36	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS){2|C<3>}	125.4980	0.044	2	125.4980	0.002	2	125.4980	0.002	2	128.0851	13.377	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-4:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH)	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH){1|C<3>}	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	127.0120	0.000	1	127.0120	0.000	1	127.0120	0.000	1	128.0851	13.377	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	123.4620	0.000	1	123.4620	0.000	1	128.4054	17.594	5	128.0851	13.377	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS){1|C<4>,2|C<3>}	131.9170	0.000	1	131.9170	0.000	1	128.4054	17.594	5	128.0851	13.377	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	128.4070	0.000	1	128.4070	0.000	1	128.4054	17.594	5	128.0851	13.377	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	129.1205	5.708	2	129.1205	32.587	2	128.4054	17.594	5	128.0851	13.377	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC){2|C<3>,2|H<1>}	132.7310	0.000	1	132.7310	0.000	1	132.7310	0.000	1	128.0851	13.377	9	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO){2|C<3>}	130.0070	0.000	1	130.0070	0.000	1	130.0070	0.000	1	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[3]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[3]C){2|C<3>}	123.5440	0.000	1	123.5440	0.000	1	124.1655	0.773	2	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	124.7870	0.000	1	124.7870	0.000	1	124.1655	0.773	2	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.1340	0.000	1	127.1340	0.000	1	123.4182	4.383	5	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	122.4892	0.303	4	122.4892	0.092	4	123.4182	4.383	5	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	126.2760	0.000	1	126.2760	0.000	1	126.2760	0.000	1	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.7320	0.000	1	126.7320	0.000	1	126.7320	0.000	1	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	128.6390	0.000	1	128.6390	0.000	1	128.6390	0.000	1	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN){1|H<1>,3|C<3>}	128.6060	0.000	1	128.6060	0.000	1	128.6060	0.000	1	125.3985	7.195	13	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	124.7520	0.000	1	124.7520	0.000	1	124.7520	0.000	1	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	127.1205	0.780	2	127.1205	0.608	2	127.1205	0.608	2	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	127.2570	0.000	1	127.2570	0.000	1	126.8380	0.638	3	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	127.3400	0.000	1	127.3400	0.000	1	126.8380	0.638	3	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	125.9170	0.000	1	125.9170	0.000	1	126.8380	0.638	3	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O){2|C<3>}	126.9730	0.000	1	126.9730	0.000	1	126.9730	0.000	1	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	126.2365	0.569	2	126.2365	0.324	2	126.1737	0.174	3	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	126.0480	0.000	1	126.0480	0.000	1	126.1737	0.174	3	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	129.9900	0.000	1	129.9900	0.000	1	129.9900	0.000	1	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	131.5400	0.250	2	131.5400	0.063	2	130.0550	1.879	5	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	129.3160	0.000	1	129.3160	0.000	1	130.0550	1.879	5	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	128.9395	0.080	2	128.9395	0.006	2	130.0550	1.879	5	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH)	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	129.3065	0.223	2	129.3065	0.050	2	129.3065	0.050	2	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	128.6403	2.917	3	128.6403	8.509	3	130.1924	6.418	7	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	130.5420	0.000	1	130.5420	0.000	1	130.1924	6.418	7	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	132.7430	0.707	2	132.7430	0.500	2	130.1924	6.418	7	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	129.3980	0.000	1	129.3980	0.000	1	130.1924	6.418	7	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CC[6a]CH){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	127.4550	0.000	1	127.4550	0.000	1	127.4550	0.000	1	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	130.6180	0.000	1	130.6180	0.000	1	130.6180	0.000	1	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	132.7690	0.000	1	132.7690	0.000	1	132.5155	0.129	2	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	132.2620	0.000	1	132.2620	0.000	1	132.5155	0.129	2	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	132.2530	0.052	2	132.2530	0.003	2	132.2530	0.003	2	129.1237	6.091	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6a]CO)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6a]CO){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	128.0810	0.000	1	128.0810	0.000	1	128.0810	0.000	1	128.0810	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:O-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.8880	0.000	1	126.8880	0.000	1	126.8880	0.000	1	130.6745	3.389	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.5400	0.000	1	126.5400	0.000	1	126.5400	0.000	1	130.6745	3.389	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.8540	0.000	1	128.8540	0.000	1	128.8540	0.000	1	130.6745	3.389	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6a]CO)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6a]CO){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	125.8130	0.000	1	125.8130	0.000	1	125.8130	0.000	1	130.6745	3.389	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.4297	0.718	18	131.4297	0.515	18	131.4297	0.515	18	130.6745	3.389	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHS)(SC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CS){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHS)(SC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.1790	0.187	2	131.1790	0.035	2	131.1790	0.035	2	130.6745	3.389	24	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[6a]-3:C[5a]-3:C-4:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO){2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	133.2310	0.000	1	133.2310	0.000	1	133.2310	0.000	1	133.2310	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.0000	0.000	1	128.0000	0.000	1	127.5470	3.694	4	129.1439	5.416	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.3960	2.325	3	127.3960	5.405	3	127.5470	3.694	4	129.1439	5.416	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:N-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.0930	0.000	1	128.0930	0.000	1	127.1037	0.766	3	129.1439	5.416	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:N-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.6090	0.253	2	126.6090	0.064	2	127.1037	0.766	3	129.1439	5.416	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	127.6060	0.000	1	127.6060	0.000	1	127.6060	0.000	1	129.1439	5.416	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.2810	1.542	5	131.1506	1.661	7	131.1506	1.661	7	129.1439	5.416	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.8245	0.390	2	131.1506	1.661	7	131.1506	1.661	7	129.1439	5.416	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:3:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	125.3420	0.000	1	125.3420	0.000	1	125.3420	0.000	1	125.3420	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.6112	0.819	5	127.6112	0.671	5	127.3033	1.105	6	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	125.7640	0.000	1	125.7640	0.000	1	127.3033	1.105	6	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.8575	1.077	2	127.8575	1.160	2	128.3576	1.623	9	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.7068	1.371	6	128.7068	1.878	6	128.3576	1.623	9	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.2620	0.000	1	127.2620	0.000	1	128.3576	1.623	9	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Co<6>,1|C<3>}	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Co<6>,1|H<1>}	130.0180	2.315	3	129.9928	3.350	6	129.0851	5.217	8	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Fe<6>,1|H<1>}	129.9677	1.736	3	129.9928	3.350	6	129.0851	5.217	8	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	126.3620	0.000	2	126.3620	0.000	2	129.0851	5.217	8	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	127.2460	0.000	2	127.2460	0.000	2	127.2460	0.000	2	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Co<6>,1|C<3>}	C(C[5a]C[5a]2)2(CH3)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.4210	2.464	3	124.4210	6.071	3	124.5062	3.852	6	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)2(CH3)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.5913	1.880	3	124.5913	3.536	3	124.5062	3.852	6	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)2(CH3)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	120.7295	0.429	2	120.7295	0.184	2	120.7295	0.184	2	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.5690	0.106	2	132.2077	0.880	25	131.9465	1.045	37	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	132.3502	0.833	23	132.2077	0.880	25	131.9465	1.045	37	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.6910	0.786	2	131.6910	0.618	2	131.9465	1.045	37	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.8160	1.403	2	131.3447	1.157	10	131.9465	1.045	37	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.2269	1.062	8	131.3447	1.157	10	131.9465	1.045	37	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	132.5460	0.410	2	132.5460	0.168	2	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.4360	0.000	2	130.4360	0.000	2	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.7370	1.334	2	131.2683	1.200	6	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.5340	1.061	4	131.2683	1.200	6	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	132.3090	0.658	26	132.3090	0.433	26	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.8270	1.268	49	130.8298	1.545	51	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.8990	0.113	2	130.8298	1.545	51	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	129.7184	1.510	5	131.1487	1.616	45	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	132.0382	1.127	20	131.1487	1.616	45	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|H<1>,1|N<2>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|N<2>}	130.6167	0.569	20	131.1487	1.616	45	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	132.6290	0.000	1	130.0830	4.862	3	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	128.8100	0.000	2	130.0830	4.862	3	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.1995	1.517	38	131.1081	1.024	335	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.0925	0.936	293	131.1081	1.024	335	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.3870	0.280	4	131.1081	1.024	335	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.0760	0.877	2	131.0760	0.769	2	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.5697	0.618	4	131.5697	0.382	4	131.1503	1.198	476	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[6]CC)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[6]CC){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|V<6>}	127.5355	0.753	2	127.5355	0.567	2	127.5355	0.567	2	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	129.6855	0.640	2	129.6855	0.410	2	129.6855	0.410	2	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[6a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	133.8070	0.403	2	133.8070	0.162	2	133.8070	0.162	2	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]N[5a,6]C[5a])2(CH3)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])2(CH3)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	124.5310	0.000	1	124.5310	0.000	1	124.5310	0.000	1	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<5>,1|C<4>}	126.9077	1.469	3	126.9077	2.158	3	128.1114	6.829	39	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cr<4>,1|C<4>}	128.5397	2.074	4	128.5397	4.303	4	128.1114	6.829	39	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<4>}	129.3341	1.541	25	129.3341	2.375	25	128.1114	6.829	39	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	124.8925	1.102	4	124.8925	1.215	4	128.1114	6.829	39	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Rh<5>,1|C<3>}	125.7450	0.000	1	122.8470	7.303	3	128.1114	6.829	39	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Rh<6>,1|C<3>}	121.3980	1.417	2	122.8470	7.303	3	128.1114	6.829	39	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|C<4>}	130.2968	0.418	16	129.8630	1.055	20	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<5>,1|C<4>}	128.1280	0.889	4	129.8630	1.055	20	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Co<4>,1|C<3>}	128.1958	0.177	6	128.2880	0.109	10	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Co<6>,1|C<3>}	128.4262	0.482	4	128.2880	0.109	10	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Co<4>,1|C<3>}	129.2995	0.827	2	129.2995	0.683	2	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cr<5>,1|C<3>}	128.3190	1.252	6	128.3190	1.568	6	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	129.3096	2.427	10	129.3096	5.891	10	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<4>,1|C<3>}	127.5082	1.229	6	127.5082	1.511	6	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	128.4942	1.298	4	128.4942	1.684	4	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	128.9470	1.819	2	128.9470	3.308	2	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	126.9535	1.672	22	126.9535	2.795	22	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>}	129.6587	1.835	4	129.6587	3.367	4	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	127.6515	1.381	4	127.6515	1.906	4	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	129.1277	0.262	4	129.1277	0.068	4	128.4829	3.092	94	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Li<3>,1|C<4>}	126.3310	1.215	2	126.3310	1.476	2	124.9225	3.138	4	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	123.5140	0.052	2	123.5140	0.003	2	124.9225	3.138	4	130.4120	4.157	690	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	134.1010	0.000	1	134.1010	0.000	1	134.1010	0.000	1	134.1010	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:3:4:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	132.1235	0.326	2	132.1235	0.106	2	132.1235	0.106	2	132.1235	0.106	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH){2|C<3>}	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	126.7225	0.794	2	126.7225	0.631	2	126.7225	0.631	2	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	127.4625	0.286	2	127.4625	0.082	2	127.4625	0.082	2	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	127.1850	0.000	1	127.1850	0.000	1	127.7025	0.402	11	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	126.7470	0.000	1	126.7470	0.000	1	127.7025	0.402	11	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	127.8749	0.608	8	127.8749	0.370	8	127.7025	0.402	11	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]S)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]S)(C[5a]O[5a]H)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|S<4>}	127.7970	0.000	1	127.7970	0.000	1	127.7025	0.402	11	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:I-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]I)(CCHH)	C(C[5a]C[5a]2)(CHHI)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(I)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]I)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CHHI)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(I){1|C<3>,1|C<4>}	126.0570	0.000	1	126.0570	0.000	1	126.0570	0.000	1	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|B<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br){1|B<4>,1|H<1>}	125.6800	3.116	2	125.8491	4.679	7	125.8491	4.679	7	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	125.9168	2.138	5	125.8491	4.679	7	125.8491	4.679	7	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	121.6990	0.000	1	121.6990	0.000	1	124.6795	1.987	15	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<2>,1|C<4>}	126.0040	0.000	1	126.1560	0.046	2	124.6795	1.987	15	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	126.3080	0.000	1	126.1560	0.046	2	124.6795	1.987	15	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	123.6585	0.559	4	123.6585	0.312	4	124.6795	1.987	15	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	124.8450	0.000	1	124.8450	0.000	1	124.6795	1.987	15	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	125.2433	1.093	7	125.2433	1.194	7	124.6795	1.987	15	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	128.4387	0.356	3	128.4387	0.126	3	128.4387	0.126	3	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHHN)	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHHN){1|H<1>}	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	131.8527	0.707	3	131.8527	0.500	3	131.3963	0.937	8	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	131.2470	0.772	2	131.2470	0.596	2	131.3963	0.937	8	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	132.2930	0.000	1	132.2930	0.000	1	131.3963	0.937	8	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]V)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]V)(CCHH){1|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>,1|V<6>}	129.5310	0.000	1	129.5310	0.000	1	131.3963	0.937	8	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	131.2940	0.000	1	131.2940	0.000	1	131.3963	0.937	8	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	132.4890	0.000	1	132.4890	0.000	1	132.4890	0.000	1	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Fe)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Fe<6>,1|H<1>}	127.3260	0.000	1	127.3260	0.000	1	127.3260	0.000	1	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(CHHN){1|H<1>}	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Cu<5>,1|H<1>}	133.6340	0.000	1	133.6340	0.000	1	132.2760	3.688	2	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NZnCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NZnCC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	130.9180	0.000	1	130.9180	0.000	1	132.2760	3.688	2	127.2858	8.162	54	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]){1|C<4>,1|H<1>}	128.1130	0.059	2	128.1130	0.004	2	128.1130	0.004	2	123.7014	4.931	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH){1|C<4>,1|H<1>}	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	123.7014	4.931	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<2>,1|C<4>}	122.5075	0.489	2	122.8314	0.938	9	122.7085	0.993	11	123.7014	4.931	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	122.7813	1.108	6	122.8314	0.938	9	122.7085	0.993	11	123.7014	4.931	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<4>,1|H<1>}	123.7800	0.000	1	122.8314	0.938	9	122.7085	0.993	11	123.7014	4.931	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|H<1>}	122.1555	1.296	2	122.1555	1.680	2	122.7085	0.993	11	123.7014	4.931	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.7430	0.000	1	127.7430	0.000	1	127.7430	0.000	1	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CHHS)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){3|C<3>}	C(C[5a]C[5a]2)(CHHS)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){2|C<3>}	132.5440	0.000	1	132.5440	0.000	1	132.5440	0.000	1	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCC)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|O<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCC){1|C<3>,1|O<2>}	131.1790	0.000	1	131.1790	0.000	1	128.5130	10.933	3	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|O<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|O<2>}	127.1800	3.347	2	127.1800	11.205	2	128.5130	10.933	3	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	126.1430	0.000	1	126.1430	0.000	1	127.7080	1.837	3	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H){1|C<4>}	128.4905	0.011	2	128.4905	0.000	2	127.7080	1.837	3	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC){1|C<3>,1|C<4>}	126.8160	0.000	1	126.8160	0.000	1	124.9273	1.254	16	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<2>,1|C<4>}	123.6915	1.241	2	124.3640	0.964	7	124.9273	1.254	16	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<3>,1|C<4>}	124.3995	0.793	4	124.3640	0.964	7	124.9273	1.254	16	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<4>,1|H<1>}	125.5670	0.000	1	124.3640	0.964	7	124.9273	1.254	16	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){1|C<3>,1|C<4>}	123.8590	0.000	1	123.8590	0.000	1	124.9273	1.254	16	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	125.8150	0.493	5	125.8150	0.243	5	124.9273	1.254	16	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]Zr)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]Zr){2|H<1>}	124.2690	0.569	2	124.2690	0.323	2	124.9273	1.254	16	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|H<1>,1|N<3>}	135.6230	0.000	1	135.6230	0.000	1	134.4960	1.009	3	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|H<1>,1|N<3>}	133.9325	0.336	2	133.9325	0.113	2	134.4960	1.009	3	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN)	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN){1|N<2>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	132.7060	0.000	1	132.7060	0.000	1	132.7060	0.000	1	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS)	C(C[5a]N[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS){1|H<1>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.0100	0.000	1	130.0100	0.000	1	130.0100	0.000	1	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|C<3>}	129.9060	0.000	1	129.9060	0.000	1	129.9060	0.000	1	127.4632	12.654	30	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH){1|C<3>,1|S<2>}	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3){2|S<2>}	125.9740	0.000	1	125.9740	0.000	1	125.9740	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH){2|C<3>}	125.2920	0.000	1	125.2920	0.000	1	125.2920	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|O<1>,2|N<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	124.2240	0.000	1	124.2240	0.000	1	124.5080	0.457	4	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	124.1520	0.212	2	124.6027	0.632	3	124.5080	0.457	4	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	125.5040	0.000	1	124.6027	0.632	3	124.5080	0.457	4	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:P[6]-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH)	C(C[5a]C[5a,6a]C[5a])(P[6]O[6]2O)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(P[6]O[6]2O)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	127.7760	0.000	1	127.7760	0.000	1	127.7760	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	126.7090	0.000	1	126.7090	0.000	1	128.0976	0.727	7	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	129.4370	0.000	1	129.4370	0.000	1	128.0976	0.727	7	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	128.1440	0.273	2	128.1440	0.074	2	128.0976	0.727	7	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CCHH)	C(C[5a]C[5a]2)(CC[5]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CC[5]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	128.0830	0.528	3	128.0830	0.279	3	128.0976	0.727	7	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	126.3510	0.206	2	126.3510	0.043	2	126.5712	0.079	4	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	126.8000	0.000	1	126.8000	0.000	1	126.5712	0.079	4	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH){1|C<4>}	126.7830	0.000	1	126.7830	0.000	1	126.5712	0.079	4	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	121.3740	0.000	1	121.3740	0.000	1	124.1301	5.400	10	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<2>,1|N<2>}	125.5635	0.793	2	124.3255	9.048	4	124.1301	5.400	10	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<2>,1|N<3>}	126.2800	0.000	1	124.3255	9.048	4	124.1301	5.400	10	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	119.8950	0.000	1	124.3255	9.048	4	124.1301	5.400	10	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	121.3860	0.000	1	121.3860	0.000	1	124.1301	5.400	10	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	124.7780	0.000	1	124.7780	0.000	1	124.1301	5.400	10	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH){1|S<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|S<2>}	125.4870	0.343	3	125.4870	0.118	3	124.1301	5.400	10	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:Si-4:	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	124.7300	1.119	2	124.7300	1.251	2	124.7300	1.251	2	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	123.6940	0.000	1	123.6940	0.000	1	123.6940	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(CHHN)	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(CHHN){1|H<1>}	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	128.1760	0.000	1	128.1760	0.000	1	128.1760	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(CHHN)	C(C[5a]C[5a]2)(NC3)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(CHHN){1|C<3>}	C(C[5a]C[5a]2)(NC3)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	127.9760	0.000	1	127.9760	0.000	1	127.9760	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	130.0660	0.000	1	130.0660	0.000	1	130.0660	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	132.9350	0.000	1	132.9350	0.000	1	132.9350	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	132.5680	0.000	1	132.5680	0.000	1	132.5680	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]N[5a,6a]C[5a])(CF3)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(C[5a]N[5a,6a]C[5a])(CF3)(H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	131.1720	0.000	1	131.1720	0.000	1	131.1720	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	133.1150	0.000	1	133.1150	0.000	1	133.1235	0.000	2	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|C<3>}	133.1320	0.000	1	133.1320	0.000	1	133.1235	0.000	2	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:Si-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SiC3)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SiC3){1|C<3>}	131.6120	0.000	1	131.6120	0.000	1	131.6120	0.000	1	126.8812	9.976	40	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	127.0080	0.537	2	127.0080	0.289	2	127.0080	0.289	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	121.2910	0.000	1	121.2910	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.6680	0.000	1	128.6680	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.8010	0.000	1	126.8010	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.4370	0.000	1	126.4370	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	129.7260	0.000	1	127.9072	3.429	4	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|O<2>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	128.4340	0.000	1	127.9072	3.429	4	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|S<2>,2|N<2>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	125.3290	0.000	1	127.9072	3.429	4	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.1400	0.000	1	127.9072	3.429	4	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.0337	0.810	6	128.0337	0.655	6	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.1640	0.221	2	126.0397	1.703	4	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.9155	0.074	2	126.0397	1.703	4	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	123.8290	0.687	3	126.7824	2.126	83	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.8932	1.360	80	126.7824	2.126	83	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	123.7210	0.000	1	123.7210	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.1780	0.000	1	127.1780	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.5375	0.552	2	126.5375	0.305	2	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.6980	0.482	2	126.6980	0.233	2	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCoOO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCoOO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.6950	0.000	1	126.6950	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.6760	0.000	1	128.7125	0.003	2	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.7490	0.000	1	128.7125	0.003	2	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.6892	1.781	6	127.2919	1.435	68	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.3502	1.130	62	127.2919	1.435	68	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(H){2|C<3>}	128.7990	0.000	1	128.7990	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	128.3460	0.000	1	128.3460	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.6820	0.000	1	126.6820	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.1120	0.000	1	127.1120	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.5560	0.000	1	127.5560	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.5227	0.634	3	127.5227	0.402	3	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.4185	1.016	2	126.4185	1.032	2	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.4290	0.000	1	127.4290	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.5070	0.000	1	126.5070	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CNiOO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CNiOO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.3450	0.000	1	126.3450	0.000	1	127.0243	1.976	191	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	125.5890	0.000	1	125.5890	0.000	1	127.5420	2.503	5	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	129.9000	0.000	1	129.9000	0.000	1	127.5420	2.503	5	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	127.6070	0.585	2	127.6070	0.343	2	127.5420	2.503	5	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	127.0070	0.000	1	127.0070	0.000	1	127.5420	2.503	5	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.3184	1.121	7	127.3184	1.258	7	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.0310	0.000	1	126.0310	0.000	1	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Ti)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Ti)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.2305	0.762	2	127.2305	0.580	2	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.9973	0.736	4	126.9973	0.541	4	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.4900	0.000	1	126.9718	1.842	4	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.4657	1.140	3	126.9718	1.842	4	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|Br<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	123.0690	0.000	1	123.0690	0.000	1	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	131.0713	1.214	3	131.0713	1.473	3	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.6880	0.000	1	126.6880	0.000	1	127.4160	3.694	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	129.4690	0.000	1	129.4690	0.000	1	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.8650	0.000	1	125.8650	0.000	1	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.2030	0.000	1	124.2030	0.000	1	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.2007	0.139	3	126.2007	0.019	3	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.6630	0.000	1	127.6630	0.000	1	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.5097	0.706	3	126.5097	0.498	3	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.4680	0.000	1	126.4680	0.000	1	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	118.7790	0.000	1	125.4130	6.785	9	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.2422	0.825	8	125.4130	6.785	9	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.0950	0.000	1	127.0950	0.000	1	126.0767	3.933	21	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS)	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	125.6060	0.417	4	125.6060	0.174	4	125.6060	0.174	4	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF)	C(C[5a]C[5a]2)(CCFF)(F)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCFF)(F)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	122.2410	0.738	4	122.2410	0.545	4	122.2410	0.545	4	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Br)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(CCHH){3|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Br){3|C<3>}	124.5260	0.000	1	124.5260	0.000	1	124.5260	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|N<4>,2|O<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|B<4>,1|C<3>,1|S<2>}	121.5385	0.981	2	121.5385	0.962	2	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){1|Co<4>,1|N<3>,2|C<3>}	127.7028	0.462	6	127.7028	0.214	6	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	128.1570	0.000	1	128.1570	0.000	1	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<2>,1|H<1>}	127.9045	0.011	2	127.9045	0.000	2	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	128.9800	0.000	1	128.9800	0.000	1	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	127.4930	0.000	1	127.4930	0.000	1	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	126.8798	0.696	8	126.8798	0.484	8	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<3>}	122.2810	0.000	1	122.2810	0.000	1	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<2>}	126.3140	1.728	2	124.8293	4.008	4	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	123.3445	0.467	2	124.8293	4.008	4	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	122.6360	0.260	2	123.0620	0.578	3	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	123.9140	0.000	1	123.0620	0.578	3	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)(H){3|C<3>}	123.7310	0.000	1	123.7310	0.000	1	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	124.1070	0.000	1	124.1070	0.000	1	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	124.1660	0.000	1	123.8522	0.857	4	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,1|S<2>}	123.7477	1.104	3	123.8522	0.857	4	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	123.2043	0.442	3	123.2043	0.196	3	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(CCHH){1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(H){1|O<2>,2|C<3>}	125.7410	0.091	2	125.7410	0.008	2	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<3>}	122.4472	1.179	4	123.1780	2.136	6	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<3>}	124.6395	0.312	2	123.1780	2.136	6	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	123.1585	0.365	4	123.1585	0.134	4	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	124.0277	1.768	6	124.0277	3.127	6	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]C)(H){1|C<3>,2|O<2>}	124.2500	1.468	2	124.2500	2.155	2	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	121.3780	0.000	1	121.6593	2.016	7	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	121.7062	1.549	6	121.6593	2.016	7	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|B<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|N<4>,2|O<2>}	124.5850	3.295	2	124.5850	10.858	2	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|S<2>}	122.7530	0.000	1	122.7530	0.000	1	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<2>}	124.8300	1.884	4	124.8300	3.549	4	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|Si<4>,1|N<2>,1|S<2>}	122.9360	0.948	2	122.9360	0.898	2	124.4999	5.220	74	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<4>}	125.6610	0.000	1	125.6610	0.000	1	126.0454	0.644	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	126.0469	0.833	21	126.0469	0.694	21	126.0454	0.644	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|S<4>}	126.3990	0.000	1	126.3990	0.000	1	126.0454	0.644	23	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(I)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(I){1|C<3>,1|C<4>}	125.8389	0.871	10	125.8389	0.759	10	125.8389	0.759	10	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<3>,1|C<4>}	121.0840	0.000	1	121.0840	0.000	1	124.2620	20.199	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	127.4400	0.000	1	127.4400	0.000	1	124.2620	20.199	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHHN)	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHHN){1|H<1>}	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	125.5030	0.000	1	125.5030	0.000	1	125.5030	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHS)	C(C[5a]C[5a]2)(SCOO)(H)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHS){1|Br<1>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(SCOO)(H)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	125.2970	0.873	2	125.2970	0.761	2	125.2970	0.761	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]S)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a]N[5a])(CHSS)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CHSS)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,1|O<1>,2|C<4>}	132.5320	0.000	1	132.5320	0.000	1	132.5320	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	127.5372	1.053	5	127.5372	1.108	5	128.1598	2.700	9	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	129.1940	0.199	2	129.1940	0.040	2	128.1598	2.700	9	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	131.1830	0.000	1	131.1830	0.000	1	128.1598	2.700	9	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	126.1810	0.000	1	126.1810	0.000	1	128.1598	2.700	9	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){2|H<1>}	131.1410	0.000	1	131.1410	0.000	1	130.3370	1.293	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>}	129.5330	0.000	1	129.5330	0.000	1	130.3370	1.293	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	129.9880	0.000	1	129.9880	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	126.4180	0.000	1	126.4180	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	133.7970	0.000	1	133.7970	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.7830	0.000	1	131.7830	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	125.5030	1.561	4	125.5030	2.437	4	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.2780	1.092	4	130.3604	0.929	5	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.6900	0.000	1	130.3604	0.929	5	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.8499	0.854	8	130.8499	0.729	8	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.7370	0.770	4	130.7370	0.593	4	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	129.4880	0.000	1	129.4880	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCHH)	C(C[5a]C[5a]N[5a])(CCo2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CCo2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	130.1600	0.000	1	130.1600	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCHH){1|Br<1>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	127.0300	0.000	1	127.0300	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	130.3730	2.393	2	130.3730	5.726	2	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|S<4>,2|C<3>}	130.1980	0.000	1	130.1980	0.000	1	129.7796	5.049	31	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CHHN)	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br){1|Fe<5>,1|C<3>}	129.5135	0.929	6	129.5135	0.862	6	129.5135	0.862	6	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.0510	0.000	1	130.0510	0.000	1	130.8895	1.408	8	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.9582	1.337	6	130.9582	1.789	6	130.8895	1.408	8	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.3160	0.000	1	131.3160	0.000	1	130.8895	1.408	8	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6a]2Cu)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PC[6a]2Cu)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.8504	1.161	7	131.8504	1.348	7	131.5345	1.562	11	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP){2|H<1>}	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	132.0800	0.000	2	132.0800	0.000	2	131.5345	1.562	11	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PIrCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PIrCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	129.8830	0.887	2	129.8830	0.786	2	131.5345	1.562	11	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:P[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CP[6]HH)	C(C[5a]C[5a]N[5a])(P[6]O[6]2O)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CP[6]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(P[6]O[6]2O)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.0150	0.000	1	131.0150	0.000	1	131.0150	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS)	C(C[5a]C[5a]N[5a])(SC[5]OO)(H)2	C[5a](C[5a]N[5a]C)2(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS){1|C<4>}	C(C[5a]C[5a]N[5a])(SC[5]OO)(H)2	C[5a](C[5a]N[5a]C)2(Br){1|C<4>}	129.9770	0.000	1	129.9770	0.000	1	129.9770	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS)	C(C[5a]C[5a]N[5a])(SC[5]OO)(H)2	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS){1|C<4>}	C(C[5a]C[5a]N[5a])(SC[5]OO)(H)2	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	129.5250	0.000	1	129.5250	0.000	1	129.5250	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHS){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	129.6675	1.051	2	129.6675	1.106	2	128.3443	5.805	3	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHS){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|S<4>,2|C<3>}	125.6980	0.000	1	125.6980	0.000	1	128.3443	5.805	3	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){1|B<4>,1|N<2>}	130.4140	0.000	1	130.4140	0.000	1	130.4140	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	128.5577	1.273	3	128.5577	1.621	3	128.6275	1.100	4	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	128.8370	0.000	1	128.8370	0.000	1	128.6275	1.100	4	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	129.6130	0.000	1	129.6130	0.000	1	129.6130	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH)	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	131.0440	0.000	1	131.0440	0.000	1	131.0440	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C(C[5a]N[5a,6]C[5a])(PAgCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Ag<3>,1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6]C[5a])(PAgCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	128.2105	0.136	2	128.2105	0.019	2	129.3594	1.373	8	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C(C[5a]N[5a,6]C[5a])(PCuCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Cl<1>,1|Cu<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6]C[5a])(PCuCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	128.5255	1.053	2	128.5255	1.109	2	129.3594	1.373	8	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C(C[5a]N[5a,6]C[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Cl<1>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6]C[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	130.3925	0.593	2	130.3508	0.175	4	129.3594	1.373	8	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C(C[5a]N[5a,6]C[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C(C[5a]N[5a,6]C[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	130.3090	0.407	2	130.3508	0.175	4	129.3594	1.373	8	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	131.9430	0.000	1	131.9430	0.000	1	131.9430	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH){2|C<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	125.0700	0.000	1	125.0700	0.000	1	126.4720	3.931	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH){2|C<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	127.8740	0.000	1	127.8740	0.000	1	126.4720	3.931	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<5>,1|C<4>}	124.4190	0.000	1	124.4190	0.000	1	129.8288	7.759	6	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	130.6560	0.000	1	130.6560	0.000	1	129.8288	7.759	6	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|N<2>,2|C<3>}	131.5160	0.553	2	131.5160	0.306	2	129.8288	7.759	6	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	131.4610	0.000	1	131.4610	0.000	1	129.8288	7.759	6	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Pd)(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHS)(H)2	C[5a](C[5a]N[5a]C)2(H)	C[5a](N[5a]N[5a]Pd)(C[5a]C[5a]H)(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CHHS)(H)2	C[5a](C[5a]N[5a]C)2(H){1|Pd<4>}	129.4050	0.000	1	129.4050	0.000	1	129.8288	7.759	6	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]HH)	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]HH){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	129.3350	0.000	1	129.3350	0.000	1	129.3350	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]Al)(C[5a]C[5a,6a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]Al)(C[5a]C[5a,6a]H)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Al<4>,1|H<1>,2|C<3>}	132.8365	0.049	2	132.8365	0.002	2	132.8365	0.002	2	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAl2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NAl2C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|H<1>}	132.6547	0.530	3	132.6547	0.281	3	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|C<4>}	129.5750	0.000	1	136.0260	15.411	19	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<5>,1|C<4>}	136.6899	3.820	16	136.0260	15.411	19	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<6>,1|C<4>}	133.2010	0.000	1	136.0260	15.411	19	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|H<1>}	134.6800	0.000	1	136.0260	15.411	19	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|C<4>}	132.8195	0.325	2	134.9802	1.645	17	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<5>,1|C<4>}	135.5945	0.421	13	134.9802	1.645	17	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|H<1>}	133.1485	1.768	2	134.9802	1.645	17	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<4>,1|C<3>}	131.1102	0.682	6	130.1022	1.347	13	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<5>,1|C<3>}	129.2381	0.648	7	130.1022	1.347	13	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NMnCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NMnCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mn<5>,1|C<3>}	129.1430	1.347	3	129.1430	1.815	3	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NMoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(NMoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mo<5>,1|C<3>}	132.7715	0.292	4	132.7715	0.085	4	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NRuCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NRuCH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ru<9>,1|H<1>}	132.8700	0.000	1	132.8700	0.000	1	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NSnCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(CHHN){2|H<1>}	C(C[5a]C[5a]N[5a])(NSnCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Sn<4>,1|H<1>}	131.5580	0.523	2	131.5580	0.274	2	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Co)(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]N[5a]Co)(C[5a]C[5a]H)(CHHN){1|H<1>}	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|Co<6>}	136.5480	0.829	2	136.5480	0.687	2	133.6882	11.418	64	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Sb)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sb)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Sb)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sb)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Sb<5>,1|C<4>}	135.8615	1.764	2	135.8615	3.113	2	135.2738	1.542	4	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sn)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sn)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Sn<4>,1|C<4>}	134.6860	0.365	2	134.6860	0.133	2	135.2738	1.542	4	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6]2Al)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CN[6]HH){2|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2Al)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<4>,1|H<1>}	134.6430	0.000	1	134.6430	0.000	1	134.6430	0.000	1	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PCoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PCoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Co<4>,1|C<4>}	132.1060	0.361	2	132.1060	0.130	2	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<4>,1|C<4>}	133.9110	0.263	2	132.9255	4.314	6	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<5>,1|C<4>}	130.2885	0.431	2	132.9255	4.314	6	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<6>,1|C<4>}	134.5770	0.112	2	132.9255	4.314	6	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PIrCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PIrCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ir<5>,1|C<4>}	132.5895	0.595	2	132.5895	0.354	2	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PMoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PMoCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mo<5>,1|C<4>}	131.1933	0.925	8	131.1933	0.855	8	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6]2Ni)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PC[6]2Ni)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<4>}	133.1604	0.528	14	133.1604	0.278	14	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6a]2Ni)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PC[6a]2Ni)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<4>}	133.8601	0.501	20	133.8601	0.251	20	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PNiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PNiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<4>}	133.8318	0.723	34	133.8318	0.522	34	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6a]2Pd)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PC[6a]2Pd)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pd<4>,1|C<4>}	133.9920	0.443	2	133.9920	0.196	2	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PPtCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PPtCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Pt<4>,1|C<4>}	133.7915	0.401	4	133.7915	0.161	4	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PReCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PReCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Re<6>,1|C<4>}	134.3610	0.000	1	134.3610	0.000	1	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PRhCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PRhCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Rh<4>,1|C<4>}	132.9514	0.445	8	132.9514	0.198	8	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Sc)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6]2Sc)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Sc)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PC[6]2Sc)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Sc<5>,1|C<4>}	129.6983	0.564	3	129.6983	0.318	3	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP){1|Pd<3>,2|H<1>,2|N<3>}	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Si<4>,1|H<1>}	125.6930	0.000	1	127.3495	5.488	2	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP){1|Pd<4>,2|H<1>,2|N<3>}	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Si<4>,1|H<1>}	129.0060	0.000	1	127.3495	5.488	2	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ti)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PTiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ti)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PTiCC)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ti<5>,1|C<4>}	130.1830	1.095	2	130.1830	1.198	2	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<4>}	128.7430	0.439	4	128.7430	0.193	4	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ir)(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PC[6a]2Ir)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]N[5a]Ir)(C[5a]C[5a]H)(CHHP){1|C<3>}	C(C[5a]C[5a]N[5a])(PC[6a]2Ir)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|Ir<6>,1|C<3>,1|N<2>}	132.7630	0.000	1	132.7630	0.000	1	132.9313	2.868	113	128.8065	13.866	647	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH)	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH){1|N<2>,1|S<2>,2|C<3>}	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	128.3490	0.000	1	128.3490	0.000	1	128.3490	0.000	1	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:Se-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SeC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SeC){2|C<3>}	128.3660	0.000	1	128.3660	0.000	1	128.3660	0.000	1	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)2(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|C<4>,3|C<3>}	125.9950	0.000	1	125.9950	0.000	1	125.9950	0.000	1	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	123.1265	0.547	2	122.7863	0.497	3	122.8962	0.379	4	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	122.1060	0.000	1	122.7863	0.497	3	122.8962	0.379	4	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	123.2260	0.000	1	123.2260	0.000	1	122.8962	0.379	4	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(CCHH){1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	128.8055	0.158	2	128.8055	0.025	2	128.8055	0.025	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SAu)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH){1|S<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SAu){1|C<4>}	122.7160	0.322	3	122.7160	0.103	3	122.7160	0.103	3	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	122.8475	0.103	4	123.3440	0.525	8	124.3908	2.528	26	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	123.8405	0.747	4	123.3440	0.525	8	124.3908	2.528	26	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>,3|H<1>}	126.3942	1.229	4	126.3942	1.510	4	124.3908	2.528	26	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	124.6235	1.563	2	124.4166	2.320	14	124.3908	2.528	26	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	125.4928	0.623	4	124.4166	2.320	14	124.3908	2.528	26	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	124.7657	1.892	4	124.4166	2.320	14	124.3908	2.528	26	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	122.8877	0.647	4	124.4166	2.320	14	124.3908	2.528	26	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(CCHH){3|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	130.7720	0.000	1	130.7720	0.000	1	129.2365	4.716	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.7010	0.000	1	127.7010	0.000	1	129.2365	4.716	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	124.3864	0.394	5	124.3864	0.155	5	124.9390	0.995	7	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN){2|H<1>}	126.3205	0.084	2	126.3205	0.007	2	124.9390	0.995	7	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5]){1|C<4>,1|N<2>}	123.1590	0.283	2	123.1590	0.080	2	123.1590	0.080	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	126.8568	1.481	6	126.8568	2.195	6	126.9023	1.843	7	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	127.1750	0.000	1	127.1750	0.000	1	126.9023	1.843	7	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CN){1|C<3>,1|C<4>}	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHS)	C(C[5a]C[5a]2)(SCOO)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHS){1|Br<1>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(SCOO)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	121.6045	0.589	2	121.6045	0.347	2	121.6045	0.347	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	127.9720	0.000	1	127.9720	0.000	1	127.8605	0.025	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	127.7490	0.000	1	127.7490	0.000	1	127.8605	0.025	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OSi)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OSi){1|C<3>,1|C<4>}	130.0170	0.141	2	130.0170	0.020	2	129.8923	0.057	3	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CCHH){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|C<3>,1|H<1>}	129.6430	0.000	1	129.6430	0.000	1	129.8923	0.057	3	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	133.8890	0.000	1	133.8890	0.000	1	132.3255	4.889	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	130.7620	0.000	1	130.7620	0.000	1	132.3255	4.889	2	125.4444	7.100	66	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCH)	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,1|C<3>,1|N<2>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCH){1|B<4>,1|C<3>,1|N<2>}	130.3900	0.000	1	130.3900	0.000	1	130.3900	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF)	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.2830	0.000	1	126.2830	0.000	1	126.2830	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<4>,3|C<3>}	127.8340	0.000	1	127.8340	0.000	1	128.0605	0.103	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<4>,3|C<3>}	128.2870	0.000	1	128.2870	0.000	1	128.0605	0.103	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	126.0685	1.074	2	126.0685	1.154	2	126.4168	0.523	5	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	126.7520	0.000	1	126.7520	0.000	1	126.4168	0.523	5	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,4|C<3>}	126.5975	0.719	2	126.5975	0.517	2	126.4168	0.523	5	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	127.4420	0.359	2	127.4420	0.129	2	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO){2|C<3>}	129.7850	2.252	4	129.7850	5.073	4	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	128.4703	2.162	3	128.4703	4.673	3	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CPdN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CPdN){2|C<3>}	127.7510	0.000	1	127.7510	0.000	1	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	127.8340	0.000	1	127.8340	0.000	1	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	124.3520	0.000	1	124.3520	0.000	1	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	126.5247	1.605	3	126.5247	2.576	3	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH){2|C<3>}	130.9430	0.000	1	130.9430	0.000	1	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	129.2050	0.000	1	129.2050	0.000	1	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	124.7130	0.000	1	124.7130	0.000	1	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5]O){2|C<3>}	129.8960	0.767	2	129.8960	0.588	2	128.1800	4.834	20	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<3>,2|C<4>,3|C<3>}	130.0810	0.303	2	130.0810	0.092	2	128.9747	3.718	3	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|C<4>,1|O<2>,4|C<3>}	126.7620	0.000	1	126.7620	0.000	1	128.9747	3.718	3	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.0855	0.868	2	127.0855	0.753	2	128.4717	1.124	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	128.3370	0.000	1	128.9338	0.398	6	128.4717	1.124	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.0532	0.625	5	128.9338	0.398	6	128.4717	1.124	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	127.8380	0.000	1	127.8380	0.000	1	127.8380	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	129.0620	0.000	1	129.0620	0.000	1	129.0620	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	125.2790	0.000	2	125.2790	0.000	2	125.9353	1.292	3	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	127.2480	0.000	1	127.2480	0.000	1	125.9353	1.292	3	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	126.7640	1.967	4	126.7640	3.869	4	127.1793	2.174	9	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	127.4610	0.000	1	127.4610	0.000	1	127.1793	2.174	9	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	126.8630	0.119	2	127.5242	1.514	4	127.1793	2.174	9	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	128.1855	1.667	2	127.5242	1.514	4	127.1793	2.174	9	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|Zn<5>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C){2|C<4>,3|C<3>}	126.9545	0.566	4	126.9545	0.321	4	126.9545	0.321	4	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)2(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCC)	C[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCC){1|C<2>,1|C<4>,2|C<3>}	127.4210	0.000	1	127.4210	0.000	1	127.4210	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	124.0840	0.000	1	124.0840	0.000	1	124.0840	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	128.6280	0.000	1	128.6280	0.000	1	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	127.2290	0.000	1	127.2290	0.000	1	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO){1|C<3>,1|H<1>}	129.2130	0.000	1	129.2130	0.000	1	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[5]C)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	127.2375	0.086	2	127.2375	0.007	2	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(COO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|O<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(COO){1|C<3>}	126.2303	1.606	3	126.2303	2.578	3	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CCO){1|C<4>}	127.2260	0.000	1	127.2260	0.000	1	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<4>}	127.7030	0.000	1	127.7030	0.000	1	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|H<1>}	126.8650	0.000	1	126.8650	0.000	1	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]O){1|C<3>}	125.5580	0.000	1	125.5580	0.000	1	127.1323	1.553	12	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	126.5793	0.596	4	126.5793	0.355	4	126.5793	0.355	4	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	126.3220	0.000	1	126.1987	0.566	20	126.1847	0.459	26	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	126.1416	0.517	5	126.1987	0.566	20	126.1847	0.459	26	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	126.2102	0.862	14	126.1987	0.566	20	126.1847	0.459	26	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	126.2542	0.419	4	126.2542	0.175	4	126.1847	0.459	26	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	125.9055	0.144	2	125.9055	0.021	2	126.1847	0.459	26	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	127.4160	0.362	2	127.2029	0.329	13	127.2507	0.336	14	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	127.1642	0.609	11	127.2029	0.329	13	127.2507	0.336	14	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	127.8720	0.000	1	127.8720	0.000	1	127.2507	0.336	14	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C){2|C<4>}	122.9720	0.000	1	122.9720	0.000	1	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	124.1685	0.095	2	124.1685	0.009	2	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<3>}	126.4060	0.000	1	126.4060	0.000	1	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCC){1|C<3>,1|C<4>}	130.1600	0.416	2	130.1600	0.173	2	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|C<4>}	124.4520	0.287	5	124.4520	0.082	5	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	124.7108	0.614	23	124.7108	0.377	23	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]N){1|C<3>,1|C<4>}	129.1187	1.283	6	129.1187	1.647	6	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]S)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]S){1|C<3>,1|C<4>}	127.7457	0.402	12	127.7457	0.162	12	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	125.0786	1.031	12	125.0786	1.062	12	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H){1|C<3>,1|C<4>}	125.7430	0.000	1	125.7430	0.000	1	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	128.5657	1.340	15	128.3273	2.585	16	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	124.7510	0.000	1	128.3273	2.585	16	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN){1|C<3>,1|C<4>}	126.8620	0.000	1	126.8620	0.000	1	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<2>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<2>,1|C<4>}	127.8660	0.000	1	126.8602	0.740	13	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	126.9194	0.910	9	126.8602	0.740	13	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	126.7600	0.000	1	126.8602	0.740	13	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<4>}	126.1410	0.424	2	126.8602	0.740	13	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|H<1>}	124.6950	0.000	1	124.6950	0.000	1	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|H<1>}	125.0050	0.000	1	125.0050	0.000	1	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|H<1>,1|S<4>}	127.1120	0.000	1	127.1120	0.000	1	126.4192	3.793	98	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Cu<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|Cu<5>,2|C<4>,3|C<3>}	124.9120	0.000	1	124.9120	0.000	1	128.8420	2.533	17	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Fe<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Fe)(C[5a]C[5a]C){2|C<4>,3|C<3>}	129.6962	1.003	8	129.6962	1.006	8	128.8420	2.533	17	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Mn)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Mn<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Mn)(C[5a]C[5a]C){2|C<4>,3|C<3>}	128.6580	0.393	2	128.6580	0.155	2	128.8420	2.533	17	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Ru)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Ru<9>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Ru)(C[5a]C[5a]C){2|C<4>,3|C<3>}	128.9717	1.554	4	128.9717	2.415	4	128.8420	2.533	17	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Sn)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Sn<6>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Sn)(C[5a]C[5a]C){2|C<4>,3|C<3>}	127.3145	0.022	2	127.3145	0.000	2	128.8420	2.533	17	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NOO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NOO){1|C<3>,1|C<4>}	127.8160	0.553	2	127.8160	0.306	2	127.8160	0.306	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	129.1780	0.000	1	129.1780	0.000	1	127.8012	0.571	58	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<2>,1|C<3>,1|C<4>,1|H<1>}	127.0632	0.252	4	127.7770	0.547	57	127.8012	0.571	58	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	127.9524	1.135	9	127.7770	0.547	57	127.8012	0.571	58	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.9460	0.853	2	127.7770	0.547	57	127.8012	0.571	58	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	128.0071	0.638	21	127.7770	0.547	57	127.8012	0.571	58	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	127.6869	0.560	21	127.7770	0.547	57	127.8012	0.571	58	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|Pd<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	129.5010	0.000	1	129.5010	0.000	1	129.5010	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	128.1710	0.047	2	127.6356	0.468	30	127.6356	0.468	30	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	127.4975	0.910	2	127.6356	0.468	30	127.6356	0.468	30	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	127.6050	0.696	26	127.6356	0.468	30	127.6356	0.468	30	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	126.7020	0.515	2	126.7020	0.265	2	126.7020	0.265	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	128.0708	2.309	4	128.0708	5.332	4	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	127.6898	0.818	10	127.6898	0.669	10	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	127.6808	1.393	18	127.0040	1.300	42	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	126.4965	0.505	24	127.0040	1.300	42	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	129.6250	0.119	4	129.6250	0.014	4	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	127.6786	0.784	8	127.7018	0.604	10	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	127.7945	1.054	2	127.7018	0.604	10	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	125.9560	1.551	2	125.9560	2.407	2	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	131.5435	0.078	2	131.5435	0.006	2	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	131.2918	0.886	6	131.2918	0.784	6	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	128.2331	0.941	12	128.2331	0.886	12	127.8306	2.720	92	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	126.2105	0.199	2	125.1542	1.383	6	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|N<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|N<2>}	124.6260	1.084	4	125.1542	1.383	6	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.2332	0.404	8	124.2332	0.163	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Re<6>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.4600	2.085	2	124.4600	4.345	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.7360	1.180	4	124.7360	1.392	4	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	123.4420	0.972	2	123.4420	0.944	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.9990	0.000	1	124.9990	0.000	1	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<2>,1|C<4>}	129.4540	0.000	1	129.3344	0.533	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	128.2010	0.000	1	129.3344	0.533	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	130.1485	0.431	2	129.3344	0.533	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	129.1807	0.524	4	129.3344	0.533	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.1419	0.686	20	125.1627	0.313	40	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	125.3080	0.078	2	125.1627	0.313	40	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.1675	0.324	6	125.1627	0.313	40	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.1705	0.495	12	125.1627	0.313	40	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	129.8160	0.750	2	129.8160	0.562	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.5086	0.649	30	125.3269	0.557	39	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	124.7795	0.709	4	125.3269	0.557	39	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.6746	0.879	5	125.3269	0.557	39	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>}	125.8954	0.704	5	126.0380	0.390	7	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>}	126.3945	0.042	2	126.0380	0.390	7	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.6668	1.185	5	124.6668	1.404	5	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	128.5439	1.363	20	128.5439	1.859	20	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.0080	0.767	199	125.0204	0.566	224	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.1191	0.626	25	125.0204	0.566	224	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	128.5033	0.886	8	128.4600	1.034	32	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	128.4456	1.074	24	128.4600	1.034	32	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.5235	0.170	4	124.5235	0.029	4	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]C)(CC[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mg<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	129.3129	1.318	8	129.3129	1.737	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	127.1275	0.111	2	127.1275	0.012	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.8120	0.576	15	124.8120	0.332	15	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mo<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.9617	1.601	32	124.9617	2.565	32	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CCO){1|C<3>,1|C<4>}	126.2730	0.000	1	126.2730	0.000	1	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]C){1|C<3>,1|C<4>}	126.4580	0.000	1	126.4580	0.000	1	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.3960	0.285	3	124.3960	0.081	3	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	127.8005	0.959	4	127.8005	0.919	4	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.8838	0.676	54	124.8838	0.457	54	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	128.7674	1.008	7	128.7674	1.017	7	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(COO){1|C<3>,1|C<4>}	126.4865	0.035	2	126.4865	0.001	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.9015	1.272	2	124.9015	1.618	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.8384	0.728	21	124.8384	0.529	21	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|C<4>}	125.9300	0.365	2	125.9300	0.133	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CHN){1|C<3>,1|C<4>}	125.8530	0.000	1	125.8530	0.000	1	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5a]H){1|C<3>,1|C<4>}	124.5790	0.000	1	124.5790	0.000	1	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(COO){1|C<3>,1|C<4>}	124.5150	0.000	1	124.5150	0.000	1	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	128.3589	0.684	8	128.3589	0.468	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.7533	0.451	15	124.7533	0.203	15	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Re<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.7345	0.006	2	124.7345	0.000	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	124.8130	0.000	1	124.8130	0.000	1	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.6690	0.338	2	124.6279	0.225	10	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.5255	0.590	4	124.6279	0.225	10	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.7097	0.516	4	124.6279	0.225	10	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<9>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>}	124.7335	0.490	4	124.7335	0.240	4	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.9815	0.737	38	124.9815	0.543	38	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>}	125.2925	0.421	2	125.2925	0.177	2	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.9476	1.098	8	124.9476	1.205	8	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	127.9980	0.351	4	131.1771	6.520	12	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	132.7666	1.237	8	131.1771	6.520	12	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.2132	1.177	39	125.1630	0.944	112	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	125.0145	0.516	6	125.1630	0.944	112	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.1470	0.876	67	125.1630	0.944	112	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	128.1949	1.297	16	128.1949	1.683	16	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CCH){1|C<3>,1|H<1>}	125.4825	0.450	6	125.4825	0.202	6	125.5970	2.812	795	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Pt<4>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	130.0485	0.450	2	130.0485	0.203	2	126.6064	6.131	9	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Rh<4>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	126.0637	1.430	6	126.0637	2.045	6	126.6064	6.131	9	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CHHS)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){3|C<3>}	C(C[5a]C[5a]2)(CHHS)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	122.9790	0.000	1	122.9790	0.000	1	126.6064	6.131	9	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(CHHN)	C(C[5a]C[5a]2)(NC3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(CHHN){1|C<3>}	C(C[5a]C[5a]2)(NC3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	125.4120	0.000	1	125.4120	0.000	1	125.4120	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|H<1>,3|C<3>}	129.0400	0.000	1	129.0400	0.000	1	130.6996	4.186	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CClCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CClCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|C<4>,1|H<1>,2|C<3>}	129.8100	0.000	1	129.8100	0.000	1	130.6996	4.186	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|H<1>}	133.5240	0.000	1	133.5240	0.000	1	130.6996	4.186	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	132.4400	0.055	2	132.4400	0.003	2	130.6996	4.186	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	130.5290	0.025	2	130.5290	0.001	2	130.6996	4.186	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	127.2850	0.000	1	127.2850	0.000	1	130.6996	4.186	8	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCHH){4|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	127.0650	0.000	1	127.0650	0.000	1	129.5270	12.123	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCHH){4|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	131.9890	0.000	1	131.9890	0.000	1	129.5270	12.123	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){2|H<1>}	136.1340	0.000	1	136.1340	0.000	1	132.5734	4.935	5	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	130.9125	0.394	2	130.9125	0.155	2	132.5734	4.935	5	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	132.4540	1.167	2	132.4540	1.361	2	132.5734	4.935	5	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>,2|C<3>}	131.3950	0.000	1	131.3950	0.000	1	131.3950	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OCo3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(OCo3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC){1|C<3>,1|C<4>}	131.1130	0.000	1	131.1130	0.000	1	131.1130	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Fe)(CHHP)	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Fe)(CHHP){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Fe<4>,1|C<4>,2|H<1>,4|C<3>}	131.7568	0.405	4	131.7568	0.164	4	131.7568	0.164	4	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS){2|C<3>}	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	126.8570	0.000	1	126.8570	0.000	1	126.8570	0.000	1	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CCO)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|O<2>,2|C<3>}	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CCO){2|C<3>}	128.6900	0.000	1	128.6900	0.000	1	129.8615	2.745	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CCO)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CCO){4|C<3>}	131.0330	0.000	1	131.0330	0.000	1	129.8615	2.745	2	126.2924	3.939	1245	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|Ga<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	128.5475	1.080	2	128.5475	1.166	2	127.9050	1.389	47	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,3|C<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,3|C<3>}	125.3115	0.246	6	127.7571	1.618	37	127.9050	1.389	47	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	128.4480	0.726	16	127.7571	1.618	37	127.9050	1.389	47	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|In<5>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|In<5>,1|H<1>,2|C<3>}	127.9985	0.635	15	127.7571	1.618	37	127.9050	1.389	47	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,1|C<3>,1|N<2>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,1|C<3>,1|N<2>}	128.4280	0.306	8	128.4280	0.094	8	127.9050	1.389	47	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	123.0378	0.642	4	123.4160	0.529	7	124.1711	2.499	17	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,2|C<2>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	123.9203	0.549	3	123.4160	0.529	7	124.1711	2.499	17	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,1|C<2>,1|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	124.0667	0.695	3	123.6677	0.364	7	124.1711	2.499	17	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,2|C<3>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	123.3685	0.358	4	123.6677	0.364	7	124.1711	2.499	17	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	126.7000	1.411	2	126.7000	1.992	2	124.1711	2.499	17	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3){1|B<4>,1|C<3>}	127.9220	0.000	1	127.9220	0.000	1	124.1711	2.499	17	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CCHH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]OO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CCHH){2|H<1>,3|C<4>}	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]OO){2|C<4>}	129.1120	0.000	1	129.1120	0.000	1	129.1120	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3){1|C<3>,1|C<4>}	126.2470	0.000	1	126.2470	0.000	1	126.2470	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF)	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	127.2290	0.344	2	127.2290	0.118	2	127.2290	0.118	2	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	126.3560	0.000	1	126.3560	0.000	1	127.3925	2.149	2	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	128.4290	0.000	1	128.4290	0.000	1	127.3925	2.149	2	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	126.3080	0.000	1	126.3080	0.000	1	126.3080	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	127.0710	0.000	1	127.0710	0.000	1	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	128.9790	0.000	1	128.9790	0.000	1	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	126.8096	1.165	10	126.8096	1.357	10	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	125.2780	1.061	2	125.2780	1.125	2	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	127.4990	0.000	1	127.4990	0.000	1	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	127.1905	0.728	2	127.1905	0.529	2	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHN){2|C<3>}	127.6670	0.000	1	127.6670	0.000	1	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	126.7480	0.000	1	126.7480	0.000	1	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	126.3905	0.681	2	126.3905	0.464	2	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	127.0670	0.000	1	127.0670	0.000	1	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	127.2195	0.579	2	127.2195	0.335	2	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH){2|C<3>}	125.1990	0.000	1	125.1990	0.000	1	126.8193	1.207	25	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	127.9410	0.000	1	127.9410	0.000	1	129.2623	1.527	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|N<2>,4|C<3>}	129.4570	0.000	1	129.4570	0.000	1	129.2623	1.527	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|O<1>,4|C<3>}	130.3890	0.000	1	130.3890	0.000	1	129.2623	1.527	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	127.9790	0.000	1	127.9790	0.000	1	127.9733	1.159	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	126.8940	0.000	1	127.9705	2.318	2	127.9733	1.159	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	129.0470	0.000	1	127.9705	2.318	2	127.9733	1.159	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:Si-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH){1|O<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SiC3){2|C<3>}	128.0210	0.000	1	128.0210	0.000	1	128.0210	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH){1|C<4>,2|C<3>,2|H<1>}	127.8160	0.000	1	127.8160	0.000	1	127.8160	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	127.5930	0.000	1	127.5930	0.000	1	129.3488	1.177	6	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	129.2147	0.274	3	129.2147	0.075	3	129.3488	1.177	6	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH){2|C<3>}	130.4280	0.520	2	130.4280	0.271	2	129.3488	1.177	6	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:B-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	126.4490	0.000	1	126.4490	0.000	1	126.4490	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS)	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	128.2120	0.000	1	128.2120	0.000	1	128.2120	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF)	C(C[5a]C[5a]2)(CCFF)(F)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCFF)(F)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF){1|C<3>,1|H<1>}	130.3250	0.770	4	130.3250	0.592	4	130.3250	0.592	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH){1|Si<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|Si<6>,1|C<3>,1|C<4>,1|O<2>}	127.8005	0.142	2	127.8005	0.020	2	127.8005	0.020	2	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	127.9800	0.000	1	127.9800	0.000	1	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	126.6570	0.000	1	126.6570	0.000	1	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	127.8585	0.032	2	127.8585	0.001	2	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	127.2645	0.876	19	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	127.3669	0.769	15	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	126.7293	0.266	3	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	127.4215	0.786	65	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,3|C<3>}	126.5020	0.000	1	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Pt<4>,1|B<4>,1|C<3>,1|C<4>}	126.7100	0.161	2	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	126.0105	0.913	2	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	125.8163	0.543	13	127.1556	0.832	120	127.1696	0.820	124	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	125.5400	0.000	1	125.5400	0.000	1	125.5400	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>}	129.0480	0.000	1	129.0480	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	123.9125	1.638	4	123.9125	2.685	4	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	128.1965	0.296	2	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	126.4980	0.540	2	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	126.6430	1.189	2	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	127.5375	0.152	2	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	128.4695	0.381	8	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Re<6>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Re<6>,1|C<3>}	128.8125	1.859	2	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<6>,1|C<3>}	128.0495	1.167	4	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	129.2525	1.060	2	128.0764	1.143	24	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|N<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CH3){1|Fe<6>,1|C<3>}	128.6602	1.253	4	128.6602	1.570	4	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<2>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	125.7440	0.000	1	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<2>,1|H<1>}	128.3770	0.000	1	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	125.3909	2.099	46	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	126.5918	0.373	4	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	124.5210	0.000	1	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<2>}	129.1940	0.000	1	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	128.0722	0.760	22	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<4>}	128.1605	0.016	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	128.0185	0.296	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<5>,1|C<3>}	127.2719	1.953	7	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<6>,1|C<3>}	126.7788	2.029	16	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	126.9163	1.740	40	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<4>}	128.5353	0.498	4	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	128.3420	0.502	4	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<5>,1|C<3>}	128.1940	0.433	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	127.4666	1.675	236	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	126.1534	1.568	72	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ir<6>,1|C<3>}	128.5205	0.213	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mg<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mg<5>,1|C<3>}	123.8646	1.015	8	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mn<5>,1|C<3>}	127.3303	1.800	18	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mo<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mo<4>,1|C<3>}	127.7419	1.120	30	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	127.8255	1.593	60	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<6>,1|C<3>}	124.6851	0.685	10	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	127.7465	1.451	14	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pt<4>,1|C<3>}	126.7033	2.156	23	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Re<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Re<6>,1|C<3>}	128.6780	0.078	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	128.0915	0.323	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<5>,1|C<3>}	128.5930	0.832	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<6>,1|C<3>}	128.8010	0.798	2	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	127.9413	0.620	36	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	127.4600	0.349	7	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	127.4484	1.152	36	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<4>}	128.5157	0.326	6	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	127.9482	0.592	6	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	125.2759	2.381	58	127.0342	3.535	783	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	127.4923	0.624	11	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	126.8480	1.021	24	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	126.7255	0.545	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Co<4>,1|C<4>}	128.3268	0.391	4	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<3>}	126.5655	0.275	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<4>,1|C<4>}	128.6983	0.415	6	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cu<5>,1|C<3>}	128.3690	0.074	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	127.0116	0.515	9	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<6>,1|C<3>}	126.7340	0.113	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ir<6>,1|C<3>}	128.4370	0.057	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Li<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Li<4>,1|C<4>}	128.0810	0.677	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ni<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>}	128.0712	0.942	14	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Pd<4>,1|C<3>}	128.3188	0.536	15	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<4>,1|C<3>}	128.8660	0.000	1	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<5>,1|C<3>}	128.6505	0.179	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Rh<6>,1|C<3>}	128.0235	0.346	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ru<6>,1|C<3>}	128.6145	0.667	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Ru<6>,1|C<4>}	127.3040	1.967	2	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	128.6940	2.279	8	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<4>}	128.1720	0.706	12	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<5>,1|C<3>}	128.2295	0.999	35	127.8784	1.232	159	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	125.6790	0.578	2	126.1913	3.199	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|S<2>,2|C<3>}	127.8760	0.351	2	126.1913	3.199	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Mn<5>,1|N<3>,2|C<3>}	122.7050	0.018	2	126.1913	3.199	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<9>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Ru<9>,1|N<3>,2|C<3>}	127.0335	0.442	4	126.1913	3.199	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Sn<6>,1|N<3>,2|C<3>}	126.8210	0.011	2	126.1913	3.199	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.0590	0.158	2	127.7523	2.326	14	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	124.9165	0.359	2	127.7523	2.326	14	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Cu<5>,1|N<3>,2|C<3>}	128.4110	1.556	2	127.7523	2.326	14	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Fe<5>,1|N<3>,2|C<3>}	128.9198	0.304	6	127.7523	2.326	14	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Fe<6>,1|N<3>,2|C<3>}	127.1200	0.563	2	127.7523	2.326	14	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	126.4470	0.331	2	124.9422	5.616	26	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	125.4145	1.585	14	124.9422	5.616	26	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	126.9450	0.107	2	124.9422	5.616	26	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Pt<4>,3|C<3>}	128.0065	0.240	2	124.9422	5.616	26	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Rh<4>,3|C<3>}	121.6495	1.268	6	124.9422	5.616	26	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	127.4900	0.000	1	127.4900	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	124.4945	3.007	4	126.0155	6.630	8	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|Zn<5>,1|N<2>,2|C<3>}	127.5365	0.508	4	126.0155	6.630	8	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	128.1968	0.355	4	127.6774	1.024	7	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	126.2760	0.485	2	127.6774	1.024	7	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|Pd<4>,1|N<3>,2|C<3>}	128.4030	0.000	1	127.6774	1.024	7	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	127.8500	0.000	1	127.8500	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|O<2>,2|H<1>}	126.8432	0.920	21	126.8432	0.846	21	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	127.9525	1.121	10	127.9525	1.258	10	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>,1|N<2>}	129.3590	0.279	2	129.3590	0.078	2	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	126.7845	0.375	2	126.7845	0.141	2	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,2|C<3>}	126.4610	0.000	1	126.4610	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]I)(CCHH)	C(C[5a]C[5a]2)(CHHI)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]I)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CHHI)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|I<1>,2|C<3>}	128.4740	0.000	1	128.4740	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|N<3>,2|C<3>}	127.1210	0.000	1	127.1210	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	126.3700	0.000	1	126.3700	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	125.2045	0.582	2	123.5976	1.710	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	123.1005	0.841	2	123.5976	1.710	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	124.7160	0.245	2	123.5976	1.710	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	122.8548	1.116	6	123.5976	1.710	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	126.3860	0.000	1	126.3860	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<2>}	124.2060	0.000	1	123.1385	2.279	2	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<3>}	122.0710	0.000	1	123.1385	2.279	2	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|S<2>}	125.2450	0.998	4	125.2450	0.995	4	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	122.0760	0.000	1	122.0445	0.002	2	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	122.0130	0.000	1	122.0445	0.002	2	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|H<1>}	124.1938	0.792	4	124.1938	0.627	4	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	126.8175	0.087	2	125.0768	2.210	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	126.6795	0.238	2	125.0768	2.210	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Mn<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Mn<5>,1|C<3>}	123.9205	0.240	2	125.0768	2.210	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Ru<9>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<9>,1|C<3>}	124.2897	1.460	4	125.0768	2.210	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Sn<6>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Sn<6>,1|C<3>}	124.4640	0.836	2	125.0768	2.210	12	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Fe<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<5>,1|C<3>}	123.5002	0.983	8	123.9597	2.746	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	127.6350	0.000	1	123.9597	2.746	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	125.6093	0.922	6	125.6093	0.851	6	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|Cu<5>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|Cu<5>,1|N<3>,2|C<3>}	126.1490	0.000	1	126.1490	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	125.9273	0.870	6	125.9273	0.757	6	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	127.7680	0.000	1	126.3996	0.472	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	126.0695	0.554	4	126.3996	0.472	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	126.3875	0.426	4	126.3996	0.472	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|S<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	124.3040	0.360	4	124.3040	0.130	4	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|S<2>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|S<2>,2|C<3>}	123.1142	0.264	4	123.1142	0.070	4	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	124.2985	0.551	2	125.6383	1.822	27	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	125.6098	0.613	15	125.6383	1.822	27	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	125.8205	0.446	2	125.6383	1.822	27	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Pt<4>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pt<4>,1|C<3>}	122.9735	0.052	2	125.6383	1.822	27	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Rh<4>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Rh<4>,1|C<3>}	126.9835	1.606	6	125.6383	1.822	27	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	124.6285	0.497	6	124.6285	0.247	6	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	124.6070	0.449	8	124.6070	0.201	8	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	125.0509	0.753	11	125.0509	0.567	11	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	125.7695	1.968	4	125.7695	3.875	4	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	125.1320	0.000	1	125.1320	0.000	1	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	124.9963	1.228	4	126.0660	2.341	8	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|Zn<5>,1|N<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<5>,1|C<3>}	127.1358	0.950	4	126.0660	2.341	8	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	125.8255	0.210	4	125.3755	0.513	6	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	124.4580	0.000	1	125.3755	0.513	6	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|Pd<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Pd<4>,1|C<3>}	124.4930	0.000	1	125.3755	0.513	6	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	124.8760	0.561	21	124.8760	0.315	21	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH){1|C<3>,1|H<1>}	124.5147	1.315	10	124.5147	1.730	10	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|C<3>,1|H<1>}	125.5000	0.526	2	125.5000	0.277	2	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	123.5810	0.000	1	125.1126	0.516	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	125.1467	0.618	4	125.1126	0.516	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	125.4612	0.222	4	125.1126	0.516	9	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	124.9641	0.564	11	124.9641	0.319	11	126.7993	3.700	1283	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(SC[6a]OO){1|C<3>,1|H<1>}	127.9140	0.000	1	127.9140	0.000	1	128.2030	0.080	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	128.3710	0.000	1	128.3710	0.000	1	128.2030	0.080	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCHH){2|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC[6a]OO){1|C<4>,1|H<1>}	128.0180	0.000	1	128.0180	0.000	1	128.2030	0.080	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[5a]O[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[5a]O[5a]H)(CCHH){1|C<4>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(SC[6a]OO){1|H<1>}	128.5090	0.000	1	128.5090	0.000	1	128.2030	0.080	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){2|C<4>}	125.9465	1.009	2	125.9465	1.018	2	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	125.7365	0.456	2	125.7365	0.208	2	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|C<4>}	126.0697	1.025	4	126.0697	1.051	4	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH){1|C<3>,1|C<4>}	126.7040	0.833	2	126.7040	0.694	2	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	126.2677	0.841	6	126.2677	0.708	6	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO){1|C<3>,1|C<4>}	126.0240	0.277	2	126.0240	0.077	2	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	125.1530	0.840	18	125.1530	0.706	18	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH){1|C<3>,1|C<4>}	126.2690	0.000	1	126.2690	0.000	1	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|C<3>}	126.2495	0.467	4	126.2495	0.218	4	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|S<4>}	125.3300	0.000	1	125.3300	0.000	1	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<2>}	127.5420	0.595	2	127.5420	0.354	2	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|C<3>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|O<1>}	130.2830	0.000	1	130.2830	0.000	1	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|O<2>}	130.1770	0.000	1	128.2800	7.197	2	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|H<1>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	126.3830	0.000	1	128.2800	7.197	2	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CCHH)	C(C[5a]C[5a]2)(CC[5]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CCHH){1|H<1>}	C(C[5a]C[5a]2)(CC[5]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	126.7570	0.063	3	126.7570	0.004	3	126.0451	1.618	50	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH){1|Si<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|N<2>,2|O<2>}	124.3585	0.112	2	124.3585	0.013	2	124.3585	0.013	2	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	125.7530	1.269	2	125.7530	1.609	2	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	125.4937	0.483	4	125.4937	0.233	4	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	126.0980	0.000	1	125.9080	0.069	3	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	125.8130	0.288	2	125.9080	0.069	3	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	126.8130	0.000	1	126.8130	0.000	1	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|C<2>}	125.0920	0.407	2	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	125.0074	0.731	73	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	124.5255	0.859	2	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|F<1>}	125.6720	0.000	1	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	124.9267	1.223	6	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	125.1901	0.764	11	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<2>,3|C<3>}	124.0470	0.000	1	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<4>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	126.8195	0.599	2	125.0488	0.636	98	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]Si[4,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]Si[4,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,3|C<4>}	126.2846	0.451	9	126.2846	0.204	9	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,3|C<4>}	126.0610	0.171	2	126.2832	0.098	4	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	126.5055	0.261	2	126.2832	0.098	4	125.2438	0.737	121	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	125.2557	0.197	6	125.2557	0.039	6	125.1743	0.595	38	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	124.7555	0.557	10	124.7555	0.310	10	125.1743	0.595	38	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Li<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	126.9155	0.763	2	126.9155	0.582	2	125.1743	0.595	38	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Ru<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	125.8645	1.784	2	125.8645	3.183	2	125.1743	0.595	38	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Zn<4>,1|C<3>}	C(C[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	125.1097	0.613	18	125.1097	0.375	18	125.1743	0.595	38	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CH3){1|H<1>}	125.5917	0.677	3	125.5917	0.458	3	124.9805	1.800	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	123.1470	0.000	1	123.1470	0.000	1	124.9805	1.800	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(CHHN)	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CHHN){1|H<1>}	C(C[5a]C[5a]2)(NCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	126.2170	0.000	1	126.2170	0.000	1	126.2170	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	129.1430	0.000	1	129.1430	0.000	1	129.6740	1.681	20	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[5a]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	127.5420	0.079	2	127.5420	0.006	2	129.6740	1.681	20	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	129.7673	0.834	12	129.7673	0.695	12	129.6740	1.681	20	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN){2|C<3>,2|H<1>}	130.4120	0.000	1	130.4120	0.000	1	129.6740	1.681	20	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.3530	0.000	1	133.3530	0.000	1	129.6740	1.681	20	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	129.4595	0.728	2	129.4595	0.529	2	129.6740	1.681	20	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,1|S<4>,2|C<3>}	129.3610	0.000	1	129.3610	0.000	1	129.6740	1.681	20	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	131.2100	0.000	1	131.2100	0.000	1	128.4870	3.532	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	127.5300	0.000	1	127.5300	0.000	1	128.4870	3.532	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	127.6040	0.840	2	127.6040	0.706	2	128.4870	3.532	4	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O){2|C<3>,2|H<1>}	132.0560	0.000	1	132.0560	0.000	1	132.0560	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|S<4>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>}	130.1050	0.000	1	130.1050	0.000	1	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	130.9582	0.319	4	130.9582	0.102	4	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<3>,1|H<1>}	131.8690	0.000	1	131.8690	0.000	1	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H){1|H<1>,2|C<3>}	132.4970	0.000	1	132.4970	0.000	1	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>}	C(C[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3){1|H<1>}	136.5060	0.000	1	136.5060	0.000	1	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|H<1>}	128.5090	0.000	1	129.8640	3.672	2	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|O<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	131.2190	0.000	1	129.8640	3.672	2	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	130.7400	0.199	2	130.7400	0.040	2	131.3348	3.592	12	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO){2|H<1>}	131.6410	0.716	2	131.6410	0.512	2	132.2100	1.227	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH){1|O<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO){1|H<1>}	133.3480	0.000	1	133.3480	0.000	1	132.2100	1.227	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>}	129.4720	0.000	1	129.4720	0.000	1	129.4720	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	126.8470	0.000	1	126.8470	0.000	1	126.8470	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]P)(CCHH)	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]P)(CCHH){1|H<1>,3|C<3>}	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S){2|C<3>}	132.0880	0.000	1	132.0880	0.000	1	132.0880	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH)	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	129.8690	0.000	1	129.8690	0.000	1	129.8690	0.000	1	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CHHP)	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CHHP){2|C<4>}	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Fe<4>,1|C<4>}	131.9080	0.586	3	131.9080	0.344	3	131.9080	0.344	3	126.7843	3.743	1793	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	B[5,5]-4:C[5a]-3:S[5a]-2:	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|N<4>,2|O<2>}	C(C[5a]C[5a]2)(CCHH)(H)2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,3|C<3>,3|C<4>}	125.4085	0.554	2	125.4085	0.307	2	125.4085	0.307	2	125.4085	0.307	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	128.0670	0.000	1	128.0670	0.000	1	128.0483	2.716	6	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,3|C<3>,4|C<4>}	126.3460	0.785	2	126.3460	0.616	2	128.0483	2.716	6	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	130.5060	0.000	1	130.5060	0.000	1	128.0483	2.716	6	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	129.1030	0.000	1	129.1030	0.000	1	128.0483	2.716	6	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	127.9220	0.000	1	127.9220	0.000	1	128.0483	2.716	6	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	130.8160	0.000	1	129.0151	6.351	10	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	125.5220	0.000	1	129.0151	6.351	10	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	130.8380	1.547	2	129.0151	6.351	10	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	127.3280	0.897	2	129.0151	6.351	10	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	130.2703	2.824	3	129.0151	6.351	10	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	126.6700	0.000	1	129.0151	6.351	10	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	126.9980	0.900	3	126.9980	0.810	3	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.4540	0.000	1	126.9983	3.409	6	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	127.8503	1.662	4	126.9983	3.409	6	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	125.1350	0.000	1	126.9983	3.409	6	128.0597	5.283	19	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	126.5315	0.342	6	126.5315	0.117	6	126.5315	0.117	6	127.7617	4.017	31	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO)	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	128.9170	0.000	1	128.9170	0.000	1	128.0673	2.379	4	128.0459	2.768	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO)	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO){1|H<1>}	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	129.8090	0.000	1	129.8090	0.000	1	128.0673	2.379	4	128.0459	2.768	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO)	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO){1|H<1>}	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	126.7715	0.155	2	126.7715	0.024	2	128.0673	2.379	4	128.0459	2.768	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]HO)	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]HO){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	128.3897	2.306	3	128.3897	5.317	3	128.3897	5.317	3	128.0459	2.768	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:O-2:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	126.9290	0.000	1	126.9290	0.000	1	126.9290	0.000	1	128.0459	2.768	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO)	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	124.4350	0.000	1	124.4350	0.000	1	124.4350	0.000	1	124.4350	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO)	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3){2|C<3>}	128.2040	0.000	1	128.2040	0.000	1	128.2040	0.000	1	130.7530	12.995	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	133.3020	0.000	1	133.3020	0.000	1	133.3020	0.000	1	130.7530	12.995	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.2630	0.984	2	127.2630	0.969	2	127.2630	0.969	2	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	124.2140	0.000	1	124.2140	0.000	1	124.2140	0.000	1	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:C-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	126.1360	0.000	1	126.1360	0.000	1	126.1360	0.000	1	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:N-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN){1|C<4>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	126.6570	0.000	1	126.6570	0.000	1	126.6570	0.000	1	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:S-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	126.5120	0.000	1	126.5120	0.000	1	126.5120	0.000	1	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO)	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	125.9140	0.000	1	125.9140	0.000	1	126.9755	2.911	4	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO)	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO){1|H<1>}	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	125.1360	0.000	1	125.1360	0.000	1	126.9755	2.911	4	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO)	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CCHO){1|H<1>}	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	128.4260	0.115	2	128.4260	0.013	2	126.9755	2.911	4	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]HO)	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]HO){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	125.8753	2.048	3	125.8753	4.196	3	125.8753	4.196	3	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	128.3710	0.000	1	128.3710	0.000	1	128.3710	0.000	1	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(F)	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO){1|H<1>}	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(F){1|C<4>}	130.4840	0.000	1	130.4840	0.000	1	130.4840	0.000	1	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHO)	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHO){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	132.3040	0.000	1	132.3040	0.000	1	132.3040	0.000	1	127.1707	4.838	16	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-2:H-1:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(SC){2|C<3>}	125.4920	0.000	1	125.4920	0.000	1	125.4920	0.000	1	126.5220	2.122	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-2:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,1|S<4>,2|C<3>}	127.5520	0.000	1	127.5520	0.000	1	127.5520	0.000	1	126.5220	2.122	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO){1|H<1>,1|S<4>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	131.4370	0.778	2	131.4370	0.605	2	131.4370	0.605	2	129.5890	13.266	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:S-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHS)	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCS)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHS){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCS){1|C<4>,1|H<1>,2|C<3>}	124.1680	0.000	1	124.1680	0.000	1	124.1680	0.000	1	129.5890	13.266	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-4:O-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO)	C(C[5a]C[5a]N[5a])(OCo3)(OH)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(OCo3)(OH)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC){1|C<3>,1|C<4>}	131.3140	0.000	1	131.3140	0.000	1	131.3140	0.000	1	129.5890	13.266	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHO)	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHO){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	130.4460	0.000	1	130.4460	0.000	1	130.4460	0.000	1	130.4460	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH)	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	126.8240	0.000	1	126.8240	0.000	1	126.8240	0.000	1	131.0360	35.482	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	135.2480	0.000	1	135.2480	0.000	1	135.2480	0.000	1	131.0360	35.482	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.8350	0.000	1	127.8350	0.000	1	128.2577	0.755	3	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	129.2570	0.000	1	129.2570	0.000	1	128.2577	0.755	3	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.6810	0.000	1	127.6810	0.000	1	128.2577	0.755	3	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|S<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	120.2060	0.000	1	120.2060	0.000	1	123.0993	11.145	3	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.5460	3.120	2	124.5460	9.733	2	123.0993	11.145	3	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.9135	2.487	2	125.9135	6.185	2	125.1947	4.642	3	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	123.7570	0.000	1	123.7570	0.000	1	125.1947	4.642	3	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH)	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH){1|C<3>,1|N<2>}	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<2>,2|C<3>}	130.3020	0.000	1	130.3020	0.000	1	130.4900	0.071	2	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH)	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH){1|C<3>,1|N<2>}	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	130.6780	0.000	1	130.6780	0.000	1	130.4900	0.071	2	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(H){2|H<1>}	128.0830	0.000	1	128.0830	0.000	1	128.0830	0.000	1	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|H<1>,1|S<4>}	124.6250	0.000	1	124.6250	0.000	1	124.6250	0.000	1	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:N-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP)	C(C[5a]C[5a]2)(PO3)(NCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP){3|C<3>}	C(C[5a]C[5a]2)(PO3)(NCH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	125.4620	0.000	1	125.4620	0.000	1	125.4620	0.000	1	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.8030	0.000	1	130.8030	0.000	1	130.8030	0.000	1	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HN)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HN){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	128.5430	0.000	1	128.5430	0.000	1	130.5220	7.833	2	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HN)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HN){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	132.5010	0.000	1	132.5010	0.000	1	130.5220	7.833	2	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCCH){4|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	128.0630	0.000	1	128.0630	0.000	1	128.0630	0.000	1	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CCHN)	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CCHN){2|H<1>}	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ru<9>,1|H<1>}	133.1940	0.000	1	133.1940	0.000	1	133.1940	0.000	1	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5]HN)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5]HN){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.2930	0.000	1	131.2930	0.000	1	131.2930	0.000	1	127.6601	11.746	20	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH)	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH){1|C<3>,1|N<2>}	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN){1|H<1>,2|C<3>}	122.1135	0.053	2	122.1135	0.003	2	122.1135	0.003	2	124.7970	21.605	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:N-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP)	C(C[5a]C[5a]2)(PO3)(NCH)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP){3|C<3>}	C(C[5a]C[5a]2)(PO3)(NCH)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	130.1640	0.000	1	130.1640	0.000	1	130.1640	0.000	1	124.7970	21.605	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	125.3140	0.000	1	125.3140	0.000	1	127.1823	9.201	7	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	125.6290	0.000	1	125.6290	0.000	1	127.1823	9.201	7	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	126.3190	0.000	1	126.3190	0.000	1	127.1823	9.201	7	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	124.5480	0.000	1	124.5480	0.000	1	127.1823	9.201	7	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH){2|C<3>}	131.5540	0.263	2	131.5540	0.069	2	127.1823	9.201	7	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	125.3580	0.000	1	125.3580	0.000	1	127.1823	9.201	7	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH)	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH){1|H<1>}	127.5180	0.000	1	127.5180	0.000	1	127.5180	0.000	1	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(CCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	129.4675	0.624	2	129.4675	0.390	2	130.4207	2.461	4	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	131.3740	1.833	2	131.3740	3.359	2	130.4207	2.461	4	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	129.4730	0.000	1	129.4730	0.000	1	129.4730	0.000	1	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CCCH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Zn<4>,1|C<3>}	128.0725	0.414	2	128.0725	0.171	2	128.0725	0.171	2	128.3397	6.540	15	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCCH){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,4|H<1>}	131.9450	0.516	2	131.9450	0.266	2	131.9450	0.266	2	131.9450	0.266	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-3:O-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	129.5100	0.000	1	129.5100	0.000	1	129.5100	0.000	1	129.5100	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCCO)	C(C[5a]C[5a]N[5a])(CF3)(COO)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCCO){4|C<3>}	C(C[5a]C[5a]N[5a])(CF3)(COO)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	132.8920	0.454	2	132.8920	0.206	2	132.8920	0.206	2	132.8920	0.206	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CCNN)	C(C[5a]C[5a]2)(CCHH)(NOO)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CCNN)	C(C[5a]C[5a]2)(CCHH)(NOO)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(H){1|C<4>}	126.3940	0.000	1	126.3940	0.000	1	126.3940	0.000	1	126.3940	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-3:N-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CCNN)	C(C[5a]C[5a]2)(CCHH)(NOO)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CCNN)	C(C[5a]C[5a]2)(CCHH)(NOO)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH){1|H<1>}	129.3560	0.000	1	129.3560	0.000	1	129.3560	0.000	1	129.3560	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:3:3:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CC3)	C(C[5a]C[5a]N[5a])(CHHO)(CCO)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(CHHO)(CCO)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|H<1>,3|C<4>,4|C<3>}	128.5430	0.000	1	128.5430	0.000	1	128.5430	0.000	1	128.5430	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	124.6260	0.000	1	124.6260	0.000	1	124.6260	0.000	1	125.9177	1.596	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	127.5940	0.000	1	127.5940	0.000	1	127.5940	0.000	1	125.9177	1.596	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]CH)	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]CH){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	125.7255	0.484	2	125.7255	0.235	2	125.7255	0.235	2	125.9177	1.596	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	125.7030	0.000	1	125.7030	0.000	1	125.7030	0.000	1	125.7030	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:4:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH)	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCCH)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH){1|C<3>,1|S<2>}	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCCH){2|S<2>}	125.2690	0.000	1	125.2690	0.000	1	125.2690	0.000	1	126.0244	11.525	7	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	129.4450	0.000	1	129.4450	0.000	1	129.4450	0.000	1	126.0244	11.525	7	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH){1|S<2>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCCH){2|S<2>}	123.8365	0.477	4	123.8365	0.228	4	123.8365	0.228	4	126.0244	11.525	7	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCCH){1|P<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	132.1110	0.000	1	132.1110	0.000	1	132.1110	0.000	1	126.0244	11.525	7	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	123.7340	0.000	1	123.7340	0.000	1	126.7047	2.512	10	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.6567	0.422	3	125.6567	0.178	3	126.7047	2.512	10	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.0870	0.731	2	127.0870	0.535	2	126.7047	2.512	10	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.6655	0.196	2	127.6655	0.038	2	126.7047	2.512	10	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	129.2970	0.000	1	129.2970	0.000	1	126.7047	2.512	10	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.5410	0.000	1	127.5410	0.000	1	126.7047	2.512	10	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:P-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP)	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.8410	0.000	1	126.8410	0.000	1	126.8410	0.000	1	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|Br<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	127.3010	0.000	1	123.1698	5.353	5	124.1743	4.353	9	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	122.1370	0.161	4	123.1698	5.353	5	124.1743	4.353	9	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|Mo<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Mo<6>,1|C<4>}	124.9165	0.452	2	124.9165	0.204	2	124.1743	4.353	9	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){2|C<3>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	125.9435	0.897	2	125.9435	0.805	2	124.1743	4.353	9	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCCH){2|H<1>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	126.3480	0.000	1	126.3480	0.000	1	125.2270	2.513	2	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH){1|C<4>,1|O<2>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H){1|C<4>,1|P<4>}	124.1060	0.000	1	124.1060	0.000	1	125.2270	2.513	2	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH){1|C<3>}	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	127.3510	0.000	1	127.3510	0.000	1	127.3510	0.000	1	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]CH)	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5]CH){1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	128.5820	0.436	2	128.5820	0.190	2	128.5820	0.190	2	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCH){2|H<1>}	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	129.0530	0.000	1	129.0530	0.000	1	128.9348	3.019	14	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCH){2|H<1>}	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	132.3640	0.000	1	132.3640	0.000	1	128.9348	3.019	14	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]C)(H){1|B<4>,3|C<4>}	128.0457	0.350	3	128.0457	0.122	3	128.9348	3.019	14	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	128.2333	1.393	7	128.2333	1.942	7	128.9348	3.019	14	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	130.0440	0.000	1	130.0440	0.000	1	128.9348	3.019	14	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCCH){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	131.8560	0.000	1	131.8560	0.000	1	128.9348	3.019	14	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:S-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHS)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHS){2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	127.7000	0.000	1	127.7000	0.000	1	127.7000	0.000	1	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	130.7964	0.662	16	130.7964	0.438	16	130.2912	2.580	18	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mo<8>,1|C<4>}	126.2495	0.729	2	126.2495	0.531	2	130.2912	2.580	18	127.9509	7.370	59	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SAu)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH){1|S<2>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SAu){1|C<4>}	124.3770	0.264	2	124.3770	0.070	2	124.5945	0.104	4	127.6380	14.594	7	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SNi)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH){1|S<2>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SNi){1|C<4>}	124.8120	0.229	2	124.8120	0.052	2	124.5945	0.104	4	127.6380	14.594	7	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCCH){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	131.6960	0.631	3	131.6960	0.398	3	131.6960	0.398	3	127.6380	14.594	7	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH){1|H<1>,1|N<3>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	121.3767	0.874	7	121.3767	0.763	7	121.3767	0.763	7	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH){2|C<3>}	125.7970	0.000	1	125.7970	0.000	1	126.0260	0.105	2	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHN){2|C<3>}	126.2550	0.000	1	126.2550	0.000	1	126.0260	0.105	2	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	126.2020	0.000	1	126.2020	0.000	1	126.2020	0.000	1	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]Ni)(C[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){1|Ni<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]Ni)(C[5a]C[5a,6a]C)(CCH){2|C<3>}	122.3815	0.114	2	122.3815	0.013	2	122.3815	0.013	2	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCCH){2|H<1>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCO){2|H<1>}	127.6560	0.000	1	127.6560	0.000	1	127.6560	0.000	1	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<4>,1|H<1>}	125.5870	0.000	2	125.5870	0.000	2	125.9325	0.159	4	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	126.2780	0.000	2	126.2780	0.000	2	125.9325	0.159	4	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){2|C<3>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	127.6945	0.721	2	127.6945	0.519	2	127.6945	0.519	2	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CCCH){4|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	132.4040	0.000	1	132.4040	0.000	1	132.4040	0.000	1	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,3|C<3>}	130.5710	0.000	1	130.5710	0.000	1	130.5710	0.000	1	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CNO){1|C<4>,3|C<3>}	131.2370	1.078	2	131.2370	1.161	2	131.2370	1.161	2	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	131.1400	0.000	1	129.7915	3.637	2	129.7915	3.637	2	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){4|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	128.4430	0.000	1	129.7915	3.637	2	129.7915	3.637	2	125.7784	14.130	25	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	127.2900	0.000	1	127.2900	0.000	1	128.0880	1.113	6	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	128.1060	1.984	2	128.1060	3.937	2	128.0880	1.113	6	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	128.4610	0.000	1	128.4610	0.000	1	128.0880	1.113	6	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	128.2825	0.882	2	128.2825	0.778	2	128.0880	1.113	6	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CCCH){1|H<1>}	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH){1|H<1>}	126.8340	0.000	1	126.8340	0.000	1	126.8340	0.000	1	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH){1|C<4>,1|O<2>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O){1|H<1>,1|O<2>}	129.9860	0.000	1	129.9860	0.000	1	129.9860	0.000	1	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|Mo<6>,1|C<3>}	C(C[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CCCH){1|C<3>,1|H<1>}	128.4980	0.453	2	128.4980	0.205	2	128.4980	0.205	2	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	128.9760	0.000	1	128.9760	0.000	1	128.9760	0.000	1	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CCCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|Mo<6>,1|C<3>}	128.8870	0.069	2	128.8870	0.005	2	128.8870	0.005	2	128.2091	1.402	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)2(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC3){1|H<1>}	C(C[5a]C[5a]2)(CH3)2(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	126.0120	0.000	1	126.0120	0.000	1	126.0120	0.000	1	126.0120	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CC3){1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){2|H<1>}	135.5730	0.000	1	135.5730	0.000	1	135.5730	0.000	1	135.5730	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){2|C<3>,2|N<2>}	127.2870	0.000	1	127.2870	0.000	1	127.2870	0.000	1	127.0283	16.420	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)2(CCO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC3){1|H<1>}	C(C[5a]C[5a]2)(CH3)2(CCO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	127.0283	16.420	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC3){2|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.9450	0.000	1	130.9450	0.000	1	130.9450	0.000	1	127.0283	16.420	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){2|C<3>,2|H<1>}	130.6730	0.000	1	130.6730	0.000	1	130.5790	0.018	2	131.2558	0.988	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){2|C<3>,2|H<1>}	130.4850	0.000	1	130.4850	0.000	1	130.5790	0.018	2	131.2558	0.988	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC3){4|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	131.9325	1.056	2	131.9325	1.115	2	131.9325	1.115	2	131.2558	0.988	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	132.9210	0.000	1	132.9210	0.000	1	131.9195	2.006	2	131.9195	2.006	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	130.9180	0.000	1	130.9180	0.000	1	131.9195	2.006	2	131.9195	2.006	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:4:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]H)(CC3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	132.0500	0.000	1	132.0500	0.000	1	132.0500	0.000	1	132.0500	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3){1|H<1>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	123.2500	0.000	1	123.2500	0.000	1	123.2500	0.000	1	123.2500	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.5260	0.000	1	127.5260	0.000	1	126.4303	0.703	4	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	125.6050	0.000	1	125.6050	0.000	1	126.4303	0.703	4	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.9850	0.000	1	125.9850	0.000	1	126.4303	0.703	4	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.6050	0.000	1	126.6050	0.000	1	126.4303	0.703	4	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	122.5725	0.216	2	122.5725	0.047	2	122.5725	0.047	2	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.0046	1.032	7	124.0046	1.065	7	124.0046	1.065	7	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	124.9750	1.095	4	124.9750	1.198	4	124.3746	1.472	9	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	122.9530	0.000	1	123.8942	1.396	5	124.3746	1.472	9	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|Co<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Co<4>,1|C<3>}	125.1005	0.818	2	123.8942	1.396	5	124.3746	1.472	9	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Fe<4>,1|C<3>}	123.1585	0.187	2	123.8942	1.396	5	124.3746	1.472	9	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>}	126.5463	0.503	4	126.5463	0.253	4	126.5463	0.253	4	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<3>,2|C<3>}	127.4120	0.000	1	127.4120	0.000	1	127.4120	0.000	1	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(Br)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CC3){1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(Br){2|H<1>}	130.9090	0.000	1	130.9090	0.000	1	130.9090	0.000	1	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.4230	0.872	7	131.4230	0.760	7	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3){1|C<4>,1|P<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.4280	0.000	1	131.6980	0.663	3	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.8330	1.103	2	131.6980	0.663	3	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|B<3>}	127.4290	0.000	1	127.4390	0.000	2	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	127.4490	0.000	1	127.4390	0.000	2	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	127.7977	0.463	4	127.7608	2.153	13	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	127.7444	1.775	9	127.7608	2.153	13	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.4580	0.332	2	130.4580	0.110	2	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	131.5250	0.000	1	131.5250	0.000	1	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	131.9295	0.529	8	131.9295	0.280	8	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	128.9065	0.094	2	128.9065	0.009	2	129.9083	4.582	38	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.6645	0.170	2	131.2868	0.545	4	130.9756	0.447	15	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.9090	0.242	2	131.2868	0.545	4	130.9756	0.447	15	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.8762	0.671	8	130.8625	0.409	11	130.9756	0.447	15	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.8257	0.682	3	130.8625	0.409	11	130.9756	0.447	15	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3)	C(C[5a]N[5a,6,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6,6a]C)2(H)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6,6a]C)2(H){2|B<4>}	127.6005	0.088	2	127.6005	0.008	2	127.6005	0.008	2	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3)	C(C[5a]N[5a,6]C[5a])(CH3)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]N[5a,6]C[5a])(CH3)3	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	124.9370	0.299	6	124.9370	0.089	6	124.9370	0.089	6	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	127.5040	0.000	1	127.5040	0.000	1	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Co<4>,1|C<3>}	124.6370	0.000	1	124.6370	0.000	1	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Co<4>,1|C<3>}	133.3950	0.000	1	133.3950	0.000	1	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cr<6>,1|C<3>}	126.7360	0.000	1	127.1350	0.310	3	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cr<4>,1|C<4>}	127.3345	0.617	2	127.1350	0.310	3	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cu<2>,1|C<3>}	126.3255	0.269	4	126.1730	0.924	6	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	125.8680	2.031	2	126.1730	0.924	6	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Fe<4>,1|C<3>}	127.3400	0.262	2	127.3400	0.068	2	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<3>,1|C<3>}	127.4107	0.779	6	125.6177	1.989	22	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<4>,1|C<3>}	124.9454	0.902	16	125.6177	1.989	22	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	125.3340	1.621	2	125.3340	2.627	2	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<4>}	127.0475	0.056	4	127.0475	0.003	4	126.2168	2.992	42	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Al<5>,1|C<4>}	126.3200	1.666	2	126.3200	2.775	2	129.2687	5.790	6	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]Fe)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5]CC){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]Fe)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<4>,1|H<1>}	130.7430	0.173	4	130.7430	0.030	4	129.2687	5.790	6	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Sm)(C[5a]C[5a]H)(CC[6]CC)	C(C[5a]C[5a]N[5a])(C[6]C[6]2Sm)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Sm)(C[5a]C[5a]H)(CC[6]CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2Sm)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Sm<15>,1|C<4>}	128.4475	0.636	2	128.4475	0.404	2	128.4475	0.404	2	127.6429	8.109	139	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN){1|C<4>,1|H<1>,2|C<3>}	124.7750	0.000	1	124.7750	0.000	1	124.7750	0.000	1	128.0788	7.238	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	129.8090	0.270	4	129.8090	0.073	4	129.8090	0.073	4	128.0788	7.238	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3){2|C<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC){1|N<3>,3|C<3>}	124.4620	0.000	1	124.4620	0.000	1	124.4620	0.000	1	128.0788	7.238	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHS)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3){2|C<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHS){1|C<2>,3|C<3>}	130.4520	0.000	1	130.4520	0.000	1	130.4520	0.000	1	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	131.1410	0.000	1	131.1410	0.000	1	131.1410	0.000	1	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|Co<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	129.9815	0.917	2	129.9815	0.841	2	131.0935	1.994	4	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	132.2055	0.441	2	132.2055	0.194	2	131.0935	1.994	4	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	129.0605	1.497	4	129.0605	2.240	4	129.0605	2.240	4	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	133.9680	0.000	1	133.9680	0.000	1	133.9680	0.000	1	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC3){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)2(COO){1|H<1>}	132.3843	0.833	4	132.3843	0.694	4	132.3843	0.694	4	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC3){1|O<2>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NOO){1|H<1>}	135.4740	0.000	1	135.4740	0.000	1	135.4740	0.000	1	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PCl2)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PCl2){1|C<4>,1|H<1>}	134.8950	0.000	1	134.8950	0.000	1	134.8950	0.000	1	131.5343	4.812	17	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3)	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3){1|H<1>}	C(C[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>}	132.9700	0.000	1	132.9700	0.000	1	132.9700	0.000	1	131.8575	16.470	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO){2|C<3>,2|H<1>}	133.0860	0.000	1	133.0860	0.000	1	133.0860	0.000	1	131.8575	16.470	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC3){2|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	132.2055	0.305	2	132.2055	0.093	2	132.2055	0.093	2	131.8575	16.470	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2Mo)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2Mo){1|C<4>,1|H<1>}	135.8370	0.000	1	135.8370	0.000	1	136.3285	0.483	2	131.8575	16.470	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S){1|C<4>,1|H<1>}	136.8200	0.000	1	136.8200	0.000	1	136.3285	0.483	2	131.8575	16.470	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]C)(CC3){2|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|Cr<4>,1|C<4>}	125.8680	0.020	2	125.8680	0.000	2	125.8680	0.000	2	131.8575	16.470	8	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[3x6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[3x6]HH)	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[3x6]HH){1|H<1>}	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	131.2790	0.000	1	131.2790	0.000	1	131.2790	0.000	1	129.2845	7.956	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	127.2900	0.000	1	127.2900	0.000	1	127.2900	0.000	1	129.2845	7.956	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[3x6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[3x6]HH)	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[3x6]HH){1|H<1>}	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	123.4090	0.000	1	123.4090	0.000	1	123.4090	0.000	1	126.8767	9.629	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	127.8290	0.000	1	127.8290	0.000	1	127.8290	0.000	1	126.8767	9.629	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH)	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH){1|H<1>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	129.3920	0.000	1	129.3920	0.000	1	129.3920	0.000	1	126.8767	9.629	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)2(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH){1|C<4>}	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)2(NOO){1|H<1>}	133.2880	0.000	1	133.2880	0.000	1	133.2880	0.000	1	133.2880	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[6,6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	129.5620	0.000	1	129.5620	0.000	1	129.2215	0.232	2	129.2215	0.232	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	C[6,6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO){2|C<3>}	128.8810	0.000	1	128.8810	0.000	1	129.2215	0.232	2	129.2215	0.232	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C[5a]-3:O-2:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	126.7670	0.000	1	126.7670	0.000	1	127.0190	1.004	3	127.0190	1.004	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C[5a]-3:O-2:H-1:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	127.1450	1.383	2	127.1450	1.913	2	127.0190	1.004	3	127.0190	1.004	3	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[3x6]-4:C[5a]-3:O-2:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO){2|C<3>,2|H<1>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	124.7950	0.000	1	124.7950	0.000	1	124.7950	0.000	1	126.7185	3.337	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	128.6760	0.000	1	128.6760	0.000	1	127.3597	2.539	3	126.7185	3.337	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:3:4:	4:3:2:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(H){1|H<1>}	126.7015	1.575	2	126.7015	2.480	2	127.3597	2.539	3	126.7185	3.337	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:2:4:	C[5a,5a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3)	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>}	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<2>}	126.3270	1.147	2	126.3270	1.315	2	126.3270	1.315	2	126.3270	1.315	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	129.2240	0.000	1	129.2240	0.000	1	129.2240	0.000	1	127.6136	1.937	29	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	123.9600	0.000	1	123.9600	0.000	1	127.7980	1.483	25	127.6136	1.937	29	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.9425	1.021	4	126.9425	1.043	4	127.7980	1.483	25	127.6136	1.937	29	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	128.2134	0.786	19	128.2134	0.618	19	127.7980	1.483	25	127.6136	1.937	29	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	127.1640	0.000	1	127.1640	0.000	1	127.7980	1.483	25	127.6136	1.937	29	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a]-3:C-4:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	126.7660	0.000	1	126.7660	0.000	1	126.7660	0.000	1	127.6136	1.937	29	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	N[5a]-3:C-4:C[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mn)(CC[6a]C[5]H)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Mn)(CC[6a]C[5]H)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mn<5>,1|C<3>}	124.9275	0.257	2	124.9275	0.066	2	124.9275	0.066	2	127.6136	1.937	29	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	123.5640	0.095	2	123.5640	0.009	2	124.9437	1.328	24	125.0459	1.266	27	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	125.6100	0.000	1	125.6100	0.000	1	124.9437	1.328	24	125.0459	1.266	27	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	127.8940	0.000	1	127.8940	0.000	1	124.9437	1.328	24	125.0459	1.266	27	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	124.9008	0.961	20	124.9008	0.924	20	124.9437	1.328	24	125.0459	1.266	27	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a]-3:C-4:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	125.6100	0.000	1	125.6100	0.000	1	125.6100	0.000	1	125.0459	1.266	27	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a]-3:C-4:N[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H){4|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	125.9905	0.121	2	125.9905	0.015	2	125.9905	0.015	2	125.0459	1.266	27	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	125.7010	0.000	1	125.7010	0.000	1	127.0348	8.763	5	126.8108	7.311	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	124.7210	1.578	2	124.7210	2.491	2	127.0348	8.763	5	126.8108	7.311	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	130.0155	1.518	2	130.0155	2.305	2	127.0348	8.763	5	126.8108	7.311	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	125.6910	0.000	1	125.6910	0.000	1	125.6910	0.000	1	126.8108	7.311	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:4:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.3770	0.000	1	127.3770	0.000	1	126.3227	2.032	9	126.4273	1.547	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:4:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.4720	0.444	2	124.4720	0.197	2	126.3227	2.032	9	126.4273	1.547	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:4:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.9090	1.549	2	125.9090	2.398	2	126.3227	2.032	9	126.4273	1.547	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:4:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	127.1912	0.882	4	127.1912	0.779	4	126.3227	2.032	9	126.4273	1.547	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:3:4:	3:3:1:	N[5a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<6>,1|C<3>}	126.7413	0.429	3	126.7413	0.184	3	126.7413	0.184	3	126.4273	1.547	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[4]-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[4]C[4]N[4]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])2(C[4]C[4]N[4]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	122.7350	1.754	2	122.7350	3.075	2	122.7350	3.075	2	122.7350	3.075	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	130.8530	0.000	1	130.8530	0.000	1	130.8530	0.000	1	130.8530	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:C[3]-4:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	129.2430	0.000	1	129.2430	0.000	1	129.2430	0.000	1	129.2430	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	3:4:3:3:	3:3:1:	N[5a]-3:C-4:C[5a]-3:	C[5a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(CC[6a]2C[6])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2Co)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Co)(CC[6a]2C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2Co)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Co<8>,1|C<3>}	130.0670	0.000	1	130.0670	0.000	1	130.0670	0.000	1	130.0670	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	4:3:3:1:	3:3:2:	C[5a]-3:C-4:C[5a]-3:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C)	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	124.9210	0.000	1	124.9210	0.000	1	124.9210	0.000	1	124.9210	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	3:4:3:	4:3:3:1:	3:3:4:	C[5a]-3:C-4:C[5a]-3:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C)	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>}	129.8090	0.000	1	129.8090	0.000	1	129.8090	0.000	1	129.8090	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	127.8500	0.000	1	127.8500	0.000	1	127.8500	0.000	1	131.6187	12.050	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	132.5365	1.326	2	132.5365	1.758	2	132.5365	1.758	2	131.6187	12.050	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	133.5350	0.000	1	133.5350	0.000	1	133.5350	0.000	1	131.6187	12.050	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<4>}	135.9855	0.943	4	135.9855	0.889	4	135.9855	0.889	4	131.6187	12.050	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>}	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	128.9830	0.000	1	128.9830	0.000	1	128.9830	0.000	1	131.6187	12.050	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	128.1160	1.293	3	128.1160	1.671	3	128.1160	1.671	3	131.6187	12.050	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	129.4655	0.156	2	129.4655	0.024	2	129.4655	0.024	2	131.6187	12.050	14	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CHHO)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a]){1|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CHHO)	128.4030	0.000	1	128.4030	0.000	1	128.4030	0.000	1	128.4030	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:2:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.8390	0.249	2	128.8390	0.062	2	128.8390	0.062	2	128.8390	0.062	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:2:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	131.6870	0.081	2	131.6870	0.006	2	131.6870	0.006	2	131.6870	0.006	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	124.3450	0.000	1	124.3450	0.000	1	124.3450	0.000	1	126.1440	6.473	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	127.9430	0.000	1	127.9430	0.000	1	127.9430	0.000	1	126.1440	6.473	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:3:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	132.5300	0.000	1	132.5300	0.000	1	132.5300	0.000	1	132.5300	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	128.1700	0.000	1	128.1700	0.000	1	128.1700	0.000	1	128.1700	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	3:4:3:1:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	128.9600	1.899	2	128.9600	3.607	2	128.9600	3.607	2	128.9600	3.607	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:2:	4:3:3:1:	3:3:1:	C-4:C[5a]-3:O[5a]-2:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	134.1640	0.000	1	134.1640	0.000	1	134.1640	0.000	1	134.1640	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:2:1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	130.1908	1.259	4	130.1908	1.585	4	130.1908	1.585	4	130.1908	1.585	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:2:3:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCH)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	124.2835	1.100	2	124.2835	1.209	2	124.2835	1.209	2	124.2835	1.209	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:2:4:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	124.7840	4.623	2	124.7840	21.373	2	124.7840	21.373	2	124.7840	21.373	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){3|C<3>}	129.1530	1.404	2	129.1530	1.972	2	129.1530	1.972	2	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	128.2820	0.190	2	128.2820	0.036	2	128.2820	0.036	2	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	132.7025	0.384	2	132.7025	0.147	2	132.7025	0.147	2	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.0620	0.175	2	130.0620	0.031	2	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	128.2816	0.583	8	128.7892	1.421	10	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.8195	0.319	2	128.7892	1.421	10	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.4920	1.354	3	131.4920	1.833	3	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	131.1217	1.347	8	130.5370	5.031	34	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.3571	2.447	26	130.5370	5.031	34	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.4683	1.791	9	131.2975	2.746	13	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.9133	1.465	4	131.2975	2.746	13	130.4455	4.200	62	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	130.5048	0.574	4	127.9389	7.828	8	127.2861	5.054	14	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cu<6>,1|C<3>}	125.3730	0.617	4	127.9389	7.828	8	127.2861	5.054	14	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Mn<5>,1|C<3>}	126.2498	0.678	4	126.2498	0.460	4	127.2861	5.054	14	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	126.7475	1.114	2	126.7475	1.240	2	127.2861	5.054	14	129.8768	5.681	82	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:2:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:O-2:	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	130.8385	4.958	2	130.8385	24.577	2	130.8385	24.577	2	130.8385	24.577	2	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:3:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:N-3:	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	125.9543	1.914	4	125.9543	3.663	4	125.9543	3.663	4	125.9543	3.663	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:4:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	124.9660	0.499	2	124.9660	0.249	2	124.9660	0.249	2	127.7628	6.791	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	130.7155	0.613	2	130.7155	0.376	2	130.7155	0.376	2	127.7628	6.791	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<3>}	127.6070	0.448	2	127.6070	0.201	2	127.6070	0.201	2	127.7628	6.791	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:2:	3:3:4:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	131.2285	4.203	4	131.2285	17.664	4	131.2285	17.664	4	131.2285	17.664	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.4310	0.000	1	131.4310	0.000	1	131.4310	0.000	1	131.0770	1.759	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.7940	0.000	1	130.7940	0.000	1	131.0448	1.921	11	131.0770	1.759	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.4505	0.495	6	131.0699	2.126	10	131.0448	1.921	11	131.0770	1.759	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.9990	2.013	4	131.0699	2.126	10	131.0448	1.921	11	131.0770	1.759	12	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	126.2555	1.352	4	126.2555	1.828	4	126.2555	1.828	4	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|H<1>}	128.0782	0.979	4	128.0782	0.959	4	128.0782	0.959	4	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.3130	0.000	1	130.3130	0.000	1	130.3130	0.000	1	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.6245	0.773	4	130.6245	0.598	4	130.6245	0.598	4	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.5170	0.000	1	130.5170	0.000	1	130.8378	1.250	158	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	134.8790	0.984	2	134.8790	0.969	2	130.8378	1.250	158	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	131.1603	0.436	10	131.1603	0.190	10	130.8378	1.250	158	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	129.9949	0.607	12	130.7599	1.118	143	130.8378	1.250	158	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	130.7786	1.088	117	130.7599	1.118	143	130.8378	1.250	158	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	131.2590	0.730	14	130.7599	1.118	143	130.8378	1.250	158	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.9145	0.095	2	130.9145	0.009	2	130.8378	1.250	158	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>}	125.0835	4.321	2	125.0835	18.672	2	125.2818	5.123	8	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	126.3290	3.758	2	126.3290	14.119	2	125.2818	5.123	8	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Zn<4>,1|C<3>}	124.8572	0.162	4	124.8572	0.026	4	125.2818	5.123	8	130.4177	3.216	179	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:4:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	129.6405	0.284	2	125.8467	11.057	6	125.8467	11.057	6	125.8467	11.057	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:4:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	123.9497	2.002	4	125.8467	11.057	6	125.8467	11.057	6	125.8467	11.057	6	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:3:4:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	130.0598	0.874	4	130.0598	0.764	4	130.0598	0.764	4	130.0598	0.764	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:4:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	129.2520	0.283	2	129.5340	0.138	4	129.4666	0.126	5	129.4666	0.126	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:4:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	129.8160	0.130	2	129.5340	0.138	4	129.4666	0.126	5	129.4666	0.126	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	3:4:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	129.1970	0.000	1	129.1970	0.000	1	129.4666	0.126	5	129.4666	0.126	5	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:3:	6:3:2:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5x3,5x5,20x6]-6:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5x3,5x5,20x6]HO)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](CC[5x3,5x5,20x6]HO)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	130.5830	0.000	1	130.5830	0.000	1	130.5830	0.000	1	130.5830	0.000	1	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:4:	3:3:1:1:	3:3:1:	N[5a]-4:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu2)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Cu2)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|Cu<3>,1|C<4>}	129.0180	0.066	2	129.0180	0.004	2	128.4230	0.511	4	128.4230	0.511	4	128.3319	8.738	14510	128.1979	8.476	16745
727	490	727	0:SP2_SP2_SP3	C[5a]	C	C[5a]	4:3:4:	3:3:1:1:	3:3:1:	N[5a]-4:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Li2)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]Li2)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|Li<4>,1|C<4>}	127.8280	0.334	2	127.8280	0.111	2	128.4230	0.511	4	128.4230	0.511	4	128.3319	8.738	14510	128.1979	8.476	16745