727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[5,5a]-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[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	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O)	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	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.1690	0.000	1	122.1690	0.000	1	122.1690	0.000	1	122.0620	0.314	5	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	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[5,5a]-3:C[5]-3:C[5a]-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	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	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	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	121.7357	0.286	3	121.7357	0.082	3	121.7357	0.082	3	122.0620	0.314	5	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	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:	N[5,5a]-3:C[5a]-3:C[5]-3:	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	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr)	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	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr){1|C<3>,1|O<1>,2|H<1>}	122.9340	0.000	1	122.9340	0.000	1	122.9340	0.000	1	122.0620	0.314	5	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:P[5]-4:C[5a]-3:	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	N[5,5a](C[5,5a]C[5a]C[5])(P[5]C[6a]S[5]S)(C[5a]C[5a]C)	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	N[5,5a](C[5,5a]C[5a]C[5])(P[5]C[6a]S[5]S)(C[5a]C[5a]C){1|S<1>,2|C<3>,2|C<4>}	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	3:3:4:	3:1:1:1:	6:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	Si[5,5]-6:C[5,5a]-3:C[5a]-3:	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	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C)	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	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C){2|C<4>,4|C<3>}	123.4830	0.694	2	123.4830	0.482	2	123.4830	0.482	2	123.4830	0.482	2	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	3:3:4:	3:3:1:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5,5a]-3:S[5]-4:C[5a]-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	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C)	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	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C){1|H<1>,3|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	3:3:4:	3:4:4:4:	3:3:4:	N[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3)	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.3100	0.000	1	120.3100	0.000	1	120.3457	0.041	3	120.3457	0.041	3	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	3:3:4:	3:4:4:4:	3:3:4:	N[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	120.1630	0.000	1	120.3635	0.080	2	120.3457	0.041	3	120.3457	0.041	3	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5,5a]	3:3:4:	3:4:4:4:	3:3:4:	N[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Mo<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	120.5640	0.000	1	120.3635	0.080	2	120.3457	0.041	3	120.3457	0.041	3	121.7726	1.351	12	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:2:4:	3:1:1:1:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,5a]N[5a])(H)3	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(H)3	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	125.8800	0.000	1	125.2540	0.784	2	125.2540	0.784	2	125.2540	0.784	2	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:2:4:	3:1:1:1:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,5a]N[5a])(H)3	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(H)3	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	124.6280	0.000	1	125.2540	0.784	2	125.2540	0.784	2	125.2540	0.784	2	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:2:4:	3:2:1:1:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:2:4:	3:3:4:1:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH)	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	124.3510	0.000	1	124.3510	0.000	1	124.3510	0.000	1	124.3510	0.000	1	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:2:4:	3:4:1:1:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	123.7340	0.000	1	123.7340	0.000	1	124.5030	0.796	3	124.5030	0.796	3	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:2:4:	3:4:1:1:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	125.4810	0.000	1	124.8875	0.704	2	124.5030	0.796	3	124.5030	0.796	3	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:2:4:	3:4:1:1:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	124.2940	0.000	1	124.8875	0.704	2	124.5030	0.796	3	124.5030	0.796	3	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	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	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](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	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	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	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){2|C<3>}	126.1750	3.330	2	126.1750	11.092	2	122.8473	18.485	4	122.2565	8.744	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]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>}	C(C[5a]N[5a,5a]C[5a])(H)3	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	119.7020	0.000	1	119.7020	0.000	1	122.8473	18.485	4	122.2565	8.744	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[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	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.3370	0.000	1	119.3370	0.000	1	122.8473	18.485	4	122.2565	8.744	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	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	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	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	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	122.2565	8.744	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2	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	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2{2|C<4>,2|O<1>}	120.8660	0.492	2	120.8660	0.242	2	121.4930	1.300	3	122.2565	8.744	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,5a]C[5a])(H)3	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2	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	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2{1|C<3>,2|H<1>}	122.7470	0.000	1	122.7470	0.000	1	121.4930	1.300	3	122.2565	8.744	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	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	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	122.2220	0.000	1	122.2220	0.000	1	122.3790	0.033	3	122.3790	0.033	3	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	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	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	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	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	122.4575	0.169	2	122.4575	0.029	2	122.3790	0.033	3	122.3790	0.033	3	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	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	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	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	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.8980	0.127	2	122.8980	0.016	2	122.8980	0.016	2	122.8980	0.016	2	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	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	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[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	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.3340	0.832	3	120.3340	0.692	3	120.3340	0.692	3	121.0475	0.873	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-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	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	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	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	121.9367	0.355	3	121.9367	0.126	3	121.9367	0.126	3	121.0475	0.873	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	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	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	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	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	120.7840	0.660	2	120.7840	0.436	2	120.7840	0.436	2	121.0475	0.873	8	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	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	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2	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	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2{1|P<4>,3|H<1>}	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,5a]	3:3:4:	3:4:1:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	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	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	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	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,2|H<1>}	121.5360	0.000	1	121.5360	0.000	1	121.5360	0.000	1	121.5360	0.000	1	122.3759	5.088	31	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6,6]-3:B[3x6]-3:C[5a]-3:	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	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C)	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	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	122.8850	1.793	2	122.8850	3.216	2	122.8850	3.216	2	122.8850	3.216	2	122.8850	3.216	2	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	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	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	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	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3295	1.505	2	122.3295	2.266	2	122.3295	2.266	2	122.4470	1.113	4	123.2137	2.086	6	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	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	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	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	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.5645	1.009	2	122.5645	1.018	2	122.5645	1.018	2	122.4470	1.113	4	123.2137	2.086	6	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6,6a]	3:3:4:	3:4:4:4:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	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	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	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	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.7470	0.197	2	124.7470	0.039	2	124.7470	0.039	2	124.7470	0.039	2	123.2137	2.086	6	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:1:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6]N[5a])(F)3	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	C(C[5a]N[5a,6]N[5a])(F)3	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	123.9760	0.911	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:1:1:1:	3:3:2:	N[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]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	123.7130	1.187	2	123.7130	1.408	2	123.7130	1.408	2	123.9760	0.911	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6]N[5a])(F)3	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,2|C<4>}	C(C[5a]N[5a,6]N[5a])(F)3	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	128.1590	0.000	1	128.1590	0.000	1	128.1590	0.000	1	126.2640	7.296	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H){2|C<3>,2|H<1>}	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	126.2640	7.296	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	127.4620	0.000	1	127.4620	0.000	1	127.4620	0.000	1	126.2640	7.296	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	123.1470	0.000	1	123.1470	0.000	1	123.1470	0.000	1	123.1470	0.000	1	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:2:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	123.1913	0.388	3	123.7632	1.409	4	123.7632	1.409	4	123.7632	1.409	4	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:2:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){2|C<3>}	125.4790	0.000	1	123.7632	1.409	4	123.7632	1.409	4	123.7632	1.409	4	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHN)	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHN){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	124.5110	0.000	1	124.5110	0.000	1	124.5110	0.000	1	123.5013	1.486	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	123.5013	1.486	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|S<2>}	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	123.5013	1.486	3	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:4:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	123.6740	0.260	8	123.6740	0.068	8	123.6891	0.061	9	123.6891	0.061	9	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:4:1:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	123.8100	0.000	1	123.8100	0.000	1	123.6891	0.061	9	123.6891	0.061	9	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:2:4:	3:4:2:1:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHO)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHO){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	126.3530	0.000	1	126.3530	0.000	1	126.3530	0.000	1	126.3530	0.000	1	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6,6]-3:N[5a,6]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	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	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	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	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	122.9890	0.154	2	122.9890	0.024	2	122.9890	0.024	2	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6,6a]-3:C[5a]-3:C[6]-4:	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	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	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	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	119.6225	0.342	2	119.6225	0.117	2	119.6225	0.117	2	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6]-3:C[5a]-3:B[6]-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	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF)	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	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF){2|C<3>,2|C<4>}	122.6790	0.000	1	122.6790	0.000	1	122.3740	0.186	2	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6]-3:C[5a]-3:B[6]-4:	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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.0690	0.000	1	122.0690	0.000	1	122.3740	0.186	2	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6]-3:C[5a]-3:C[6]-4:	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	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	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	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.4980	0.000	1	121.4980	0.000	1	121.8630	0.935	6	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6]-3:C[5a]-3:C[6]-4:	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	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	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	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	121.6330	0.000	1	121.6330	0.000	1	121.8630	0.935	6	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6]-3:C[5a]-3:C[6]-4:	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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	122.8505	0.310	2	122.5790	0.269	3	121.8630	0.935	6	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6]-3:C[5a]-3:C[6]-4:	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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	122.0360	0.000	1	122.5790	0.269	3	121.8630	0.935	6	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6]-3:C[5a]-3:C[6]-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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	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	N[5a,6](C[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>}	120.3100	0.000	1	120.3100	0.000	1	121.8630	0.935	6	121.7624	1.634	12	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4: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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	122.2340	0.000	1	122.2340	0.000	1	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	123.6642	0.491	5	123.6642	0.241	5	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.1650	0.000	1	122.3880	0.099	2	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	122.6110	0.000	1	122.3880	0.099	2	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	122.9960	0.260	2	122.9960	0.068	2	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	123.7365	0.736	11	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	124.0915	0.490	2	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	122.0450	0.000	1	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	122.7798	0.632	19	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	122.6223	0.768	12	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	122.6225	0.152	2	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	122.5253	0.354	3	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	122.5763	0.479	56	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.2830	0.000	1	122.7663	0.466	107	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	124.5795	0.705	2	124.1160	0.460	4	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	123.6525	0.152	2	124.1160	0.460	4	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.7900	0.062	2	121.7900	0.004	2	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	123.7880	0.000	1	123.7880	0.000	1	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	121.4600	0.000	1	121.4600	0.000	1	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4: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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	122.0320	0.000	1	122.4421	0.253	10	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4: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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	122.5204	0.536	8	122.4421	0.253	10	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4: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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	122.2260	0.000	1	122.4421	0.253	10	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4: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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4335	0.078	2	121.4335	0.006	2	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1053	0.100	3	122.3785	0.305	4	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	123.1980	0.000	1	122.3785	0.305	4	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	123.3625	0.086	2	124.9660	1.703	6	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	125.7678	0.515	4	124.9660	1.703	6	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.7840	0.000	1	123.7840	0.000	1	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	123.0465	0.528	209	122.9988	0.286	256	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	122.7880	0.501	13	122.9988	0.286	256	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	123.1873	0.194	4	122.9988	0.286	256	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	122.8910	0.000	1	122.9988	0.286	256	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	122.8510	0.000	1	122.9988	0.286	256	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	122.7229	0.564	28	122.9988	0.286	256	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.2665	0.472	4	123.2085	0.158	6	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	123.0925	0.286	2	123.2085	0.158	6	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	123.3293	0.359	20	123.3293	0.129	20	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7385	0.224	2	122.7385	0.050	2	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	124.0510	0.000	1	124.0510	0.000	1	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	123.3174	0.439	13	123.2769	0.209	15	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	123.0135	0.672	2	123.2769	0.209	15	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	123.8195	0.103	2	123.5447	0.232	3	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	122.9950	0.000	1	123.5447	0.232	3	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	124.0140	1.232	2	124.0140	1.517	2	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.2300	0.000	1	122.2300	0.000	1	122.9870	0.456	454	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[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](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	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	122.8620	0.000	1	122.8620	0.000	1	122.9535	0.017	2	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[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](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6]C[5a])(H)3	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	123.0450	0.000	1	123.0450	0.000	1	122.9535	0.017	2	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:Si[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<4>,3|C<3>}	122.7745	0.456	2	122.7745	0.208	2	122.7745	0.208	2	122.9859	0.453	458	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	123.5195	0.205	4	123.5195	0.042	4	123.8105	0.176	10	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	124.4955	0.326	2	124.0045	0.179	6	123.8105	0.176	10	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	123.7590	0.148	4	124.0045	0.179	6	123.8105	0.176	10	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	123.4515	0.260	2	123.4515	0.067	2	123.6905	0.129	8	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	123.7702	0.370	6	123.7702	0.137	6	123.6905	0.129	8	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	121.8800	0.000	1	121.8800	0.000	1	121.7667	0.056	3	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	121.4940	0.000	1	121.4940	0.000	1	121.7667	0.056	3	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	121.9260	0.000	1	121.9260	0.000	1	121.7667	0.056	3	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	124.0840	0.464	2	123.7208	0.156	6	123.7208	0.156	6	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	123.5392	0.238	4	123.7208	0.156	6	123.7208	0.156	6	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	122.5830	0.000	1	124.6771	1.428	11	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	124.7162	1.116	6	124.6771	1.428	11	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	125.1420	0.965	4	124.6771	1.428	11	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-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	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	122.4525	0.067	2	122.6667	0.055	6	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-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	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	122.7738	0.209	4	122.6667	0.055	6	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-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	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	122.0910	0.610	2	122.0910	0.372	2	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	124.6270	0.919	2	124.6270	0.845	2	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	123.9505	0.013	2	123.9505	0.000	2	123.8602	1.778	23	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	Si[4,6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<3>,3|C<4>,4|H<1>}	122.3276	0.266	10	122.3276	0.071	10	122.3276	0.071	10	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	Si[6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	122.3955	0.298	2	122.3955	0.089	2	122.3955	0.089	2	123.4211	1.190	62	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:1:1:	3:2:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-3:H-1:H-1:	C[5a,6]-3:Ge[6]-2:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	119.3170	3.383	2	119.3170	11.443	2	119.3170	11.443	2	119.3170	11.443	2	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	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	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	122.4452	0.905	5	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	122.6640	0.000	1	122.6640	0.000	1	122.6640	0.000	1	122.4452	0.905	5	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	121.2520	0.000	1	121.2520	0.000	1	122.6230	1.455	3	122.4452	0.905	5	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	123.3085	0.301	2	123.3085	0.090	2	122.6230	1.455	3	122.4452	0.905	5	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	122.5130	0.390	2	122.5130	0.152	2	122.5130	0.152	2	122.5130	0.152	2	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:4:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:3:4:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	126.3430	0.000	1	126.3430	0.000	1	126.3430	0.000	1	126.3430	0.000	1	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	N[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](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	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]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	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	124.6220	0.000	1	124.6220	0.000	1	124.6220	0.000	1	124.0650	0.620	2	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	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	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]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	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	123.5080	0.000	1	123.5080	0.000	1	123.5080	0.000	1	124.0650	0.620	2	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	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,6,6a]-3:C[5a]-3:C[6]-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	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	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	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	120.7510	0.000	1	120.7510	0.000	1	120.7510	0.000	1	120.7510	0.000	1	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	121.3670	0.000	1	122.5460	1.309	3	122.2810	1.154	4	121.8082	1.270	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	123.1355	0.730	2	122.5460	1.309	3	122.2810	1.154	4	121.8082	1.270	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.4860	0.000	1	121.4860	0.000	1	122.2810	1.154	4	121.8082	1.270	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a,6]-3:Ge[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6]PdS)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6]PdS)(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	120.8625	0.453	2	120.8625	0.205	2	120.8625	0.205	2	121.8082	1.270	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](Ge[6]N[5a,6]AgCl)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](Ge[6]N[5a,6]AgCl)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	122.8575	0.278	2	122.8575	0.077	2	122.3597	0.801	6	122.3597	0.801	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](Ge[6]N[5a,6]ClCu)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](Ge[6]N[5a,6]ClCu)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	122.9715	0.303	2	122.9715	0.092	2	122.3597	0.801	6	122.3597	0.801	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	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	N[5a,6](Ge[6]N[5a,6]ClPd)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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	N[5a,6](Ge[6]N[5a,6]ClPd)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	121.2500	0.361	2	121.2500	0.130	2	122.3597	0.801	6	122.3597	0.801	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6]	3:3:4:	3:4:4:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	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	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	127.0465	0.215	6	127.0465	0.046	6	127.0465	0.046	6	127.0465	0.046	6	123.0626	0.998	588	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	125.0330	0.000	1	125.0330	0.000	1	125.0525	0.001	2	124.3107	0.767	4	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	125.0720	0.000	1	125.0720	0.000	1	125.0525	0.001	2	124.3107	0.767	4	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3){1|C<3>,1|N<2>}	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>}	123.3460	0.000	1	123.3460	0.000	1	123.3460	0.000	1	124.3107	0.767	4	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	N[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](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	124.3107	0.767	4	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3){3|C<3>}	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,3|C<3>}	128.4200	0.000	1	128.4200	0.000	1	128.4200	0.000	1	126.3041	3.889	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	126.3041	3.889	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	124.0285	0.309	2	124.0285	0.095	2	124.0285	0.095	2	126.3041	3.889	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	128.2940	0.000	1	127.6360	0.325	3	127.6360	0.325	3	126.3041	3.889	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	127.3070	0.016	2	127.6360	0.325	3	127.6360	0.325	3	126.3041	3.889	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a,6a]-3:N[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](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	124.2570	0.000	1	124.2570	0.000	1	125.8960	5.373	2	125.8960	5.373	2	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a,6a]-3:N[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](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	127.5350	0.000	1	127.5350	0.000	1	125.8960	5.373	2	125.8960	5.373	2	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	N[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](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	123.3895	0.163	2	123.3895	0.027	2	123.3895	0.027	2	124.4213	3.207	3	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH){3|C<3>}	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	126.4850	0.000	1	126.4850	0.000	1	126.4850	0.000	1	124.4213	3.207	3	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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[6a,6a]-3:C[5a,6a]-3:C[5a]-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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	127.3850	0.000	1	127.3850	0.000	1	127.3850	0.000	1	124.4760	4.737	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	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	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	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	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	122.4280	0.000	1	122.4280	0.000	1	122.4280	0.000	1	124.4760	4.737	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	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:C[6a]-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	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	121.5355	0.583	2	121.5355	0.340	2	121.5355	0.340	2	124.4760	4.737	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	126.2520	0.000	1	126.3535	0.021	2	126.3535	0.021	2	124.4760	4.737	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	126.4550	0.000	1	126.3535	0.021	2	126.3535	0.021	2	124.4760	4.737	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-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](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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)	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	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	124.8920	0.000	1	124.8920	0.000	1	124.8920	0.000	1	124.4760	4.737	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]N[5a,6a]C[5a])(H)3	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	124.9005	0.025	2	124.9005	0.001	2	124.9005	0.001	2	124.4760	4.737	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	N[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](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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	N[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](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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	123.0117	3.939	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	N[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](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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.2260	0.000	1	123.2260	0.000	1	123.2260	0.000	1	123.0117	3.939	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	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	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]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	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	123.0117	3.939	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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,6a]-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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0980	0.000	1	120.0980	0.000	1	120.7995	0.984	2	123.0117	3.939	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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,6a]-3:C[5a]-3: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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.5010	0.000	1	121.5010	0.000	1	120.7995	0.984	2	123.0117	3.939	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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[6a,6a]-3:C[5a,6a]-3:C[5a]-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	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	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	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	125.1183	1.118	3	125.1183	1.250	3	125.1183	1.250	3	123.0117	3.939	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3: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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[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>,2|C<3>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	123.0117	3.939	9	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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-3:H-1:	C[5a,6a]-3:C[5a]-3: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)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.5900	0.000	1	123.5900	0.000	1	123.5900	0.000	1	123.3000	0.168	2	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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,6a]-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)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.0100	0.000	1	123.0100	0.000	1	123.0100	0.000	1	123.3000	0.168	2	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]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)	N[5a,6a](B[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>}	123.0685	0.614	2	123.0685	0.378	2	123.0685	0.378	2	123.0685	0.378	2	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	123.8410	0.000	1	123.8410	0.000	1	123.8410	0.000	1	123.8410	0.000	1	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	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:C[6a]-3:	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	N[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]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	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.5090	0.000	1	123.5090	0.000	1	123.5090	0.000	1	122.7140	1.181	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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,6a]-3:C[5a]-3:C[6a]-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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5440	0.000	1	121.5440	0.000	1	122.6180	1.276	4	122.7140	1.181	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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,6a]-3:C[5a]-3:C[6a]-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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	123.9150	0.000	1	123.9150	0.000	1	122.6180	1.276	4	122.7140	1.181	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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,6a]-3:C[5a]-3:C[6a]-3:	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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]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	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.8110	0.000	1	121.8110	0.000	1	122.6180	1.276	4	122.7140	1.181	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	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,6a]-3:C[5a]-3:C[6a]-3:	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[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>,2|H<1>}	123.2020	0.000	1	123.2020	0.000	1	122.6180	1.276	4	122.7140	1.181	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-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	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	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	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	122.7140	1.181	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[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](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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.6270	0.000	1	123.6270	0.000	1	123.6270	0.000	1	122.7140	1.181	7	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	N[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](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)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[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)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	124.0119	4.241	48	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	124.2850	0.570	2	124.3165	0.164	4	124.5448	0.247	6	124.5448	0.247	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	124.6330	0.000	1	124.3165	0.164	4	124.5448	0.247	6	124.5448	0.247	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|S<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	124.0630	0.000	1	124.3165	0.164	4	124.5448	0.247	6	124.5448	0.247	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.0015	0.346	2	125.0015	0.120	2	124.5448	0.247	6	124.5448	0.247	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:2:	N[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](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	125.2275	0.071	2	125.2275	0.005	2	125.2275	0.005	2	125.2275	0.005	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN){1|C<4>}	126.5360	0.000	1	126.5360	0.000	1	126.5360	0.000	1	125.5635	1.892	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:3:	N[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](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1	125.5635	1.892	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>}	124.9560	0.000	1	124.6172	0.057	4	124.6172	0.057	4	124.6172	0.057	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>}	124.5043	0.098	3	124.6172	0.057	4	124.6172	0.057	4	124.6172	0.057	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|N<2>,2|C<3>}	121.9973	0.529	3	121.9973	0.280	3	122.0252	0.190	4	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.1090	0.000	1	122.1090	0.000	1	122.0252	0.190	4	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3){2|C<2>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<2>}	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:D-1:	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(D)	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(D){1|C<3>,1|N<3>}	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(H){1|C<3>,1|N<3>}	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.2772	1.403	9	122.2772	1.968	9	122.2772	1.968	9	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|N<3>}	122.5420	0.000	1	122.5420	0.000	1	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|N<3>}	123.7045	0.316	2	123.1764	0.207	9	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|H<1>}	122.9600	0.000	1	123.1764	0.207	9	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|N<3>}	123.0730	0.000	1	123.1764	0.207	9	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	122.8330	0.059	2	123.1764	0.207	9	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>}	123.1600	0.590	3	123.1764	0.207	9	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	123.1820	0.000	1	122.7170	0.432	2	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	122.2520	0.000	1	122.7170	0.432	2	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	123.5567	0.938	6	123.9353	1.641	15	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|N<3>}	122.5350	0.126	2	123.9353	1.641	15	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	124.6600	1.298	7	123.9353	1.641	15	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|H<1>}	123.4530	0.000	1	123.4530	0.000	1	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|N<3>,2|C<3>}	122.3960	0.000	1	122.3960	0.000	1	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	123.3283	0.492	3	123.3283	0.242	3	123.4821	1.057	32	123.0565	1.422	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:2:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	123.0950	0.430	4	123.0947	0.113	6	123.3561	0.318	8	123.5323	0.558	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:2:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	123.0940	0.082	2	123.0947	0.113	6	123.3561	0.318	8	123.5323	0.558	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:2:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(NC)	124.1405	0.162	2	124.1405	0.026	2	123.3561	0.318	8	123.5323	0.558	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|S<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){3|C<3>}	124.9420	0.000	1	124.9420	0.000	1	124.9420	0.000	1	123.5323	0.558	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3){4|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,5|C<3>}	122.3250	0.033	2	122.3250	0.001	2	122.3250	0.001	2	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH)	C(C[5a]N[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	126.5010	0.000	1	126.5010	0.000	1	126.5010	0.000	1	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN){1|H<1>,2|C<3>}	122.5035	0.077	2	122.5035	0.006	2	122.1243	0.211	4	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN){1|H<1>,2|C<3>}	121.7450	0.228	2	121.7450	0.052	2	122.1243	0.211	4	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[5a]-3:N[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](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){1|N<2>,1|S<2>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	123.5740	0.000	1	123.5740	0.000	1	123.5740	0.000	1	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	122.3620	0.000	1	122.5655	0.083	2	123.3723	1.994	3	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	122.7690	0.000	1	122.5655	0.083	2	123.3723	1.994	3	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	124.9860	0.000	1	124.9860	0.000	1	123.3723	1.994	3	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN){1|C<4>}	122.8304	0.407	5	122.8304	0.166	5	123.4984	1.040	11	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|H<1>}	124.1070	0.000	1	124.1070	0.000	1	123.4984	1.040	11	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN){1|H<1>}	122.9500	0.000	1	122.9500	0.000	1	123.4984	1.040	11	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|H<1>}	124.8833	0.398	3	124.8833	0.158	3	123.4984	1.040	11	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CHH){1|H<1>}	122.6230	0.000	1	122.6230	0.000	1	123.4984	1.040	11	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	123.7010	0.000	1	123.7010	0.000	1	123.7010	0.000	1	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	122.6691	0.367	7	122.6691	0.135	7	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<2>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	123.1335	0.093	2	123.5875	0.341	4	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	124.3490	0.000	1	123.5875	0.341	4	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	123.7340	0.000	1	123.5875	0.341	4	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.4600	0.000	1	123.3188	0.414	17	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<3>}	122.9218	0.362	10	123.3188	0.414	17	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	123.7903	0.497	6	123.3188	0.414	17	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.7600	0.000	1	122.7600	0.000	1	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,1|O<2>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	123.7200	0.000	1	123.7200	0.000	1	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	122.9640	1.305	2	123.5830	2.001	3	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	124.8210	0.000	1	123.5830	2.001	3	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	124.3977	0.800	3	124.3977	0.641	3	123.3299	0.604	36	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	124.5260	1.120	2	124.5260	1.255	2	124.1769	0.365	10	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|H<1>}	124.5640	0.000	1	124.5640	0.000	1	124.1769	0.365	10	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|C<3>}	123.3580	0.000	1	123.3580	0.000	1	124.1769	0.365	10	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(NHH)	124.1325	0.437	6	124.1325	0.191	6	124.1769	0.365	10	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:3:	N[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](N[5a]C[5a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	123.1650	0.734	2	123.1650	0.539	2	123.1650	0.539	2	123.4295	0.928	71	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH)	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH){2|C<3>}	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	124.1470	0.000	1	124.1470	0.000	1	123.3205	1.366	2	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<2>,2|C<3>}	122.4940	0.000	1	122.4940	0.000	1	123.3205	1.366	2	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	123.4950	0.429	3	123.4950	0.184	3	123.4950	0.184	3	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	121.9680	0.071	2	121.9680	0.005	2	123.0936	0.662	9	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	123.4151	0.582	7	123.4151	0.339	7	123.0936	0.662	9	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	124.5700	0.000	1	124.5700	0.000	1	124.5700	0.000	1	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	125.5425	0.446	2	125.5425	0.199	2	125.5425	0.199	2	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	123.5910	0.194	2	123.5910	0.038	2	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	126.6630	0.000	1	124.4947	2.181	4	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	123.7720	0.371	3	124.4947	2.181	4	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	123.2790	0.000	1	123.2790	0.000	1	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3){1|N<3>}	122.6490	0.000	1	122.6490	0.000	1	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	124.8630	0.576	2	124.8630	0.331	2	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	124.2333	2.018	3	123.8667	2.486	14	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	123.0414	0.256	8	123.8667	2.486	14	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	125.7010	1.970	3	123.8667	2.486	14	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	123.9970	0.000	1	123.9970	0.000	1	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|C<4>}	124.4940	0.000	1	124.3234	0.377	44	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	124.3409	0.612	42	124.3234	0.377	44	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|N<3>}	123.4160	0.000	1	124.3234	0.377	44	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3){1|N<3>,2|C<4>}	123.1060	0.443	4	123.1060	0.196	4	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|N<3>,1|S<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3){1|N<3>}	123.1990	0.000	1	123.1990	0.000	1	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	122.9850	0.000	1	123.7787	0.656	3	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	124.1755	0.606	2	123.7787	0.656	3	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH){1|C<3>}	124.4500	0.634	2	124.4500	0.401	2	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(CH3)	123.8880	0.386	2	123.8880	0.149	2	124.1088	0.892	81	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	126.4230	0.000	1	126.4230	0.000	1	126.4230	0.000	1	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO)	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO){1|C<3>}	126.3405	0.231	2	126.3405	0.053	2	126.3405	0.053	2	124.0656	1.124	102	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	6:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	Si[5]-6:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3){2|N<2>,3|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a]){2|N<2>,4|C<3>}	126.8390	0.000	1	126.8390	0.000	1	126.8390	0.000	1	126.8390	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	8:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	Nb[3x3]-8:C[5a]-3:N[5a]-2:	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3){1|C<4>,7|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,7|C<3>}	125.3390	0.000	1	125.3390	0.000	1	125.3390	0.000	1	125.3390	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	123.7020	0.000	1	123.7020	0.000	1	124.9300	0.714	5	124.9300	0.714	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	124.5800	0.000	1	124.5800	0.000	1	124.9300	0.714	5	124.9300	0.714	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.4560	0.444	3	125.4560	0.197	3	124.9300	0.714	5	124.9300	0.714	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[5])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[5])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	121.8770	0.000	1	121.8770	0.000	1	121.8770	0.000	1	121.8770	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH)	C(C[5a]N[5a]2)(CC[5])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH){2|C<2>}	C(C[5a]N[5a]2)(CC[5])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,1|C<3>}	124.4940	0.000	1	124.4940	0.000	1	124.4940	0.000	1	122.6570	1.455	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.4064	1.302	5	122.4064	1.695	5	122.3174	1.194	7	122.6570	1.455	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.0950	0.494	2	122.0950	0.244	2	122.3174	1.194	7	122.6570	1.455	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS)	C(C[5a]N[5a]2)(SC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS){2|C<3>}	C(C[5a]N[5a]2)(SC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	123.1970	0.000	1	123.1970	0.000	1	123.1970	0.000	1	122.6570	1.455	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){3|C<3>}	C(C[5a]N[5a]2)(NC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	124.0207	1.888	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){3|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	126.6590	0.000	1	126.6590	0.000	1	124.2060	1.970	5	124.0207	1.888	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){1|S<2>,2|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	123.5927	0.345	4	123.5927	0.119	4	124.2060	1.970	5	124.0207	1.888	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)2(NHH)	124.4885	0.284	4	124.4885	0.081	4	124.4885	0.081	4	124.0207	1.888	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO)	C(C[5a]N[5a]2)(ON[6])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(ON[6])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	123.7255	0.183	2	123.7255	0.034	2	123.7255	0.034	2	123.7195	1.043	20	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	122.3520	0.000	1	122.3520	0.000	1	122.7303	0.681	7	123.7195	1.043	20	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	122.5685	1.573	2	122.5685	2.475	2	122.7303	0.681	7	123.7195	1.043	20	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	122.7417	0.696	3	122.7417	0.484	3	122.7303	0.681	7	123.7195	1.043	20	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	123.3980	0.000	1	123.3980	0.000	1	122.7303	0.681	7	123.7195	1.043	20	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	124.3524	0.707	10	124.3524	0.500	10	124.3480	0.450	11	123.7195	1.043	20	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO){1|S<2>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	124.3040	0.000	1	124.3040	0.000	1	124.3480	0.450	11	123.7195	1.043	20	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	124.2400	0.000	1	124.2400	0.000	1	126.3420	3.411	3	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	127.3930	0.440	2	127.3930	0.193	2	126.3420	3.411	3	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	126.3432	1.826	6	126.3432	3.333	6	126.3432	3.333	6	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.3480	0.000	1	125.3480	0.000	1	125.9854	0.570	5	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.0260	0.000	1	125.0260	0.000	1	125.9854	0.570	5	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	126.5177	0.228	3	126.5177	0.052	3	125.9854	0.570	5	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.6660	0.000	1	125.6660	0.000	1	125.6660	0.000	1	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	124.9350	0.000	2	124.9350	0.000	2	124.9350	0.000	2	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.8200	0.000	1	125.8200	0.000	1	125.8200	0.000	1	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	126.3750	0.000	1	126.3750	0.000	1	126.3750	0.000	1	126.0391	1.630	19	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	125.9210	0.000	1	125.9210	0.000	1	125.9210	0.000	1	125.3225	0.742	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	124.2190	0.000	1	124.2190	0.000	1	125.1525	1.743	2	125.3225	0.742	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	126.0860	0.000	1	126.0860	0.000	1	125.1525	1.743	2	125.3225	0.742	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	125.0640	0.000	1	125.0640	0.000	1	125.0640	0.000	1	125.3225	0.742	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	121.6610	0.000	1	121.6610	0.000	1	122.7569	0.787	34	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.8605	0.793	32	122.8605	0.629	32	122.7569	0.787	34	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	120.5370	0.000	1	120.5370	0.000	1	122.7569	0.787	34	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[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](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	121.9038	0.729	5	121.9038	0.531	5	121.9038	0.531	5	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	123.0649	1.439	20	123.0649	2.070	20	122.7289	2.308	28	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.4162	1.473	5	122.4162	2.171	5	122.7289	2.308	28	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	122.0510	0.000	1	122.0510	0.000	1	122.7289	2.308	28	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	120.4895	1.033	2	120.4895	1.067	2	122.7289	2.308	28	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.5347	1.936	3	122.5347	3.747	3	122.5347	3.747	3	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.9675	0.464	4	122.9675	0.215	4	122.9675	0.215	4	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	124.7010	0.000	1	124.7010	0.000	1	124.5945	0.023	2	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|H<1>}	124.4880	0.000	1	124.4880	0.000	1	124.5945	0.023	2	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	123.9750	0.000	1	123.9750	0.000	1	123.9750	0.000	1	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[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](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	120.8550	0.000	1	120.8550	0.000	1	120.8550	0.000	1	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	N[6]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH)	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH){2|C<3>}	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	120.8070	0.000	1	120.8070	0.000	1	120.8070	0.000	1	122.7084	1.513	79	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	122.6055	1.415	2	122.6055	2.002	2	122.6055	2.002	2	123.7579	2.779	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	121.3240	0.000	1	122.8927	1.884	3	122.8927	1.884	3	123.7579	2.779	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	123.6770	0.279	2	122.8927	1.884	3	122.8927	1.884	3	123.7579	2.779	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:2:	N[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]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	125.0335	0.087	2	125.0335	0.008	2	125.0335	0.008	2	123.7579	2.779	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:2:	N[5a]-3:N[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](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	126.1070	0.000	1	126.1070	0.000	1	126.1070	0.000	1	123.7579	2.779	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	C(C[5a]N[5a]2)(CCC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	124.2020	1.022	2	124.2020	1.045	2	123.0150	4.750	3	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CNO)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(CNO)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>}	120.6410	0.000	1	120.6410	0.000	1	123.0150	4.750	3	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|N<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	123.2095	0.279	2	123.2095	0.078	2	123.2095	0.078	2	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|C<4>}	126.1617	1.369	3	125.2806	2.398	5	125.2806	2.398	5	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|H<1>}	123.9590	0.150	2	125.2806	2.398	5	125.2806	2.398	5	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	122.4100	0.000	1	122.4100	0.000	1	123.1350	1.051	2	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<2>,2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	123.8600	0.000	1	123.8600	0.000	1	123.1350	1.051	2	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|H<1>}	124.8773	0.868	3	124.8773	0.754	3	124.6977	0.750	6	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|H<1>}	123.4580	0.000	1	123.4580	0.000	1	124.6977	0.750	6	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)2(NHH)	125.0480	0.602	2	125.0480	0.363	2	124.6977	0.750	6	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2)	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2){1|H<1>,2|C<3>}	120.6180	0.626	6	120.6180	0.391	6	120.6180	0.391	6	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH){1|H<1>}	123.4927	0.226	3	123.4927	0.051	3	123.4927	0.051	3	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHN){1|S<2>}	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	124.2040	0.000	1	124.2040	0.000	1	124.2040	0.000	1	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|S<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	124.5700	0.161	2	124.5700	0.026	2	124.5700	0.026	2	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH){1|S<2>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	126.4340	0.000	1	126.4340	0.000	1	126.4340	0.000	1	123.5576	3.759	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	124.1050	0.000	1	124.1050	0.000	1	124.1050	0.000	1	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	123.0180	0.000	1	123.0180	0.000	1	122.8165	0.081	2	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	122.6150	0.000	1	122.6150	0.000	1	122.8165	0.081	2	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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]C)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2: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)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	125.0260	0.000	1	125.0260	0.000	1	125.0260	0.000	1	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	126.4295	1.080	6	126.4295	1.166	6	124.6716	4.407	12	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	122.6987	1.098	4	122.6987	1.205	4	124.6716	4.407	12	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NC[6a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NC[6a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	124.1780	0.000	1	124.1780	0.000	1	124.6716	4.407	12	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	122.5090	0.000	1	122.5090	0.000	1	124.6716	4.407	12	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	122.9720	1.308	2	123.1613	0.730	6	123.3213	0.732	9	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	123.2560	0.781	4	123.1613	0.730	6	123.3213	0.732	9	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	122.9720	0.000	1	122.9720	0.000	1	123.3213	0.732	9	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	123.9760	1.038	2	123.9760	1.078	2	123.3213	0.732	9	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	121.9690	1.642	2	121.9690	2.696	2	122.4360	2.002	3	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	123.3700	0.000	1	123.3700	0.000	1	122.4360	2.002	3	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	124.6870	0.000	1	124.6870	0.000	1	124.6870	0.000	1	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|H<1>}	124.4470	0.000	1	124.4470	0.000	1	124.4470	0.000	1	123.8475	2.621	32	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS){2|H<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	122.7850	0.000	1	122.7850	0.000	1	122.7850	0.000	1	122.7850	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:Cl-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	124.8880	0.000	1	124.8880	0.000	1	124.8880	0.000	1	124.8880	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	123.5360	0.000	1	123.5360	0.000	1	126.1545	13.713	2	128.0190	10.269	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	128.7730	0.000	1	128.7730	0.000	1	126.1545	13.713	2	128.0190	10.269	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	128.6210	0.000	1	128.6210	0.000	1	129.8835	3.188	2	128.0190	10.269	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	131.1460	0.000	1	131.1460	0.000	1	129.8835	3.188	2	128.0190	10.269	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H){2|C<3>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	125.4800	0.000	1	125.4800	0.000	1	125.4800	0.000	1	125.4800	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	123.8990	0.000	1	123.8990	0.000	1	124.2175	0.203	2	123.2465	1.409	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	124.5360	0.000	1	124.5360	0.000	1	124.2175	0.203	2	123.2465	1.409	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:C-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH)	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	122.2755	0.501	2	122.2755	0.251	2	122.2755	0.251	2	123.2465	1.409	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	125.5845	6.131	2	125.5845	37.593	2	125.5845	37.593	2	125.5845	37.593	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:2:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O)	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O){2|H<1>}	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	124.4220	0.000	1	124.4220	0.000	1	124.4220	0.000	1	124.4220	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:4:	N[5a]-3:N[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](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	122.5070	0.000	1	122.5070	0.000	1	123.4070	1.630	3	123.4070	1.630	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:4:	N[5a]-3:N[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](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]N[5a]2)2(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C(C[5a]N[5a]2)2(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	123.8570	1.430	2	123.8570	2.044	2	123.4070	1.630	3	123.4070	1.630	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:4:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH)	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH){1|H<1>,2|C<4>}	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	123.9790	0.000	1	123.9790	0.000	1	123.9790	0.000	1	123.9790	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:2:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO)	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO){2|H<1>}	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	125.7475	0.196	4	125.7475	0.038	4	125.7475	0.038	4	125.7475	0.038	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:4:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]N[5a]2)2(CCHH)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]N[5a]2)2(CCHH)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	126.8245	3.488	2	126.8245	12.167	2	126.8245	12.167	2	126.8245	12.167	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:4:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC)	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC){2|C<3>}	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	123.8230	0.829	4	123.8230	0.687	4	123.8230	0.687	4	123.8230	0.687	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	124.0395	0.244	2	124.0395	0.060	2	124.6774	0.431	5	124.6346	0.683	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.1027	0.392	3	125.1027	0.153	3	124.6774	0.431	5	124.6346	0.683	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	124.2143	1.026	3	124.2143	1.052	3	124.2143	1.052	3	124.6346	0.683	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	C(C[5a]N[5a]2)(SC[6a]OO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	C(C[5a]N[5a]2)(SC[6a]OO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.6810	0.000	1	125.6810	0.000	1	125.6810	0.000	1	124.6346	0.683	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	127.1160	0.000	1	127.1160	0.000	1	127.1160	0.000	1	127.6233	0.684	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	127.1760	0.000	1	127.1760	0.000	1	127.8770	0.983	2	127.6233	0.684	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	128.5780	0.000	1	128.5780	0.000	1	127.8770	0.983	2	127.6233	0.684	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	121.6580	0.000	1	122.6939	3.616	15	122.4456	2.889	20	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.7679	1.951	14	122.6939	3.616	15	122.4456	2.889	20	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	121.8825	0.165	2	121.8825	0.027	2	122.4456	2.889	20	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	121.3320	0.000	1	121.3320	0.000	1	122.4456	2.889	20	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	121.2940	0.000	1	121.2940	0.000	1	122.4456	2.889	20	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.1120	0.000	1	122.1120	0.000	1	122.4456	2.889	20	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cl<1>}	123.8923	0.776	4	123.4950	1.241	5	123.4950	1.241	5	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	121.9060	0.000	1	123.4950	1.241	5	123.4950	1.241	5	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.0080	0.000	1	122.0080	0.000	1	123.5165	5.785	4	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.1080	0.000	1	127.1080	0.000	1	123.5165	5.785	4	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NMnCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NMnCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.4010	0.000	1	122.4010	0.000	1	123.5165	5.785	4	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:1:	N[5a]-3:N[5a]-2: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]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NMnCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NMnCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.5490	0.000	1	122.5490	0.000	1	123.5165	5.785	4	122.7742	3.006	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	122.7750	0.000	1	122.7750	0.000	1	122.7750	0.000	1	123.8993	1.646	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:2:	N[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](N[5a]C[5a]O)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OH)	C[5a](N[5a]C[5a]O)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OH){1|H<1>}	123.6260	0.000	1	123.6260	0.000	1	123.6260	0.000	1	123.8993	1.646	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	125.2970	0.000	1	125.2970	0.000	1	125.2970	0.000	1	123.8993	1.646	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	124.7613	1.690	3	124.3102	2.718	4	124.1368	1.983	6	124.1733	1.222	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|O<2>,2|C<3>}	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	122.9570	0.000	1	124.3102	2.718	4	124.1368	1.983	6	124.1733	1.222	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|S<1>,2|C<3>}	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	122.9530	0.000	1	122.9530	0.000	1	124.1368	1.983	6	124.1733	1.222	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	124.6270	0.000	1	124.6270	0.000	1	124.1368	1.983	6	124.1733	1.222	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]N)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)2(NHH)	124.0751	0.658	8	124.0751	0.432	8	124.0751	0.432	8	124.1733	1.222	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<4>,2|C<3>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	123.6863	0.691	3	123.6863	0.477	3	123.6863	0.477	3	124.1733	1.222	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>,2|C<3>}	126.6390	0.000	1	126.6390	0.000	1	126.6390	0.000	1	124.1733	1.222	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	121.9740	0.000	1	121.5745	0.073	4	121.9759	0.547	11	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	121.4413	0.054	3	121.5745	0.073	4	121.9759	0.547	11	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	123.8170	0.000	1	123.8170	0.000	1	121.9759	0.547	11	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	121.8255	0.086	2	121.8255	0.007	2	121.9759	0.547	11	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	121.5965	0.354	2	121.5965	0.126	2	121.9759	0.547	11	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	122.8420	0.000	1	122.8420	0.000	1	121.9759	0.547	11	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	121.9340	0.000	1	121.9340	0.000	1	121.9759	0.547	11	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|S<2>}	125.4310	0.000	1	125.4310	0.000	1	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	124.8745	1.005	2	125.0930	0.648	3	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	125.5300	0.000	1	125.0930	0.648	3	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	125.9340	0.000	1	125.9340	0.000	1	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	123.9880	0.000	1	123.9880	0.000	1	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	123.1590	0.000	1	123.3777	0.150	10	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	123.4020	0.402	9	123.3777	0.150	10	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[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](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	123.4715	0.627	2	123.4715	0.393	2	123.9640	0.989	18	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO){1|H<1>}	122.9210	0.000	1	122.9210	0.000	1	122.9210	0.000	1	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	124.2130	0.000	1	124.2130	0.000	1	124.2130	0.000	1	123.2329	1.678	31	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:4:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,2|C<4>,3|H<1>}	123.1790	0.000	1	124.6175	4.139	2	124.6175	4.139	2	124.6175	4.139	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:4:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	126.0560	0.000	1	124.6175	4.139	2	124.6175	4.139	2	124.6175	4.139	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	122.2800	0.000	1	122.2800	0.000	1	122.2800	0.000	1	122.2800	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	122.0305	1.360	2	122.0305	1.849	2	122.0305	1.849	2	122.0305	1.849	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a]N[5a]C)2(NH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHO){1|C<4>}	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a]N[5a]C)2(NH)	123.0795	0.272	2	123.0795	0.074	2	123.0795	0.074	2	123.0795	0.074	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	123.9890	0.000	1	123.9890	0.000	1	121.6277	2.211	6	121.6277	2.211	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	119.4460	0.000	1	119.4460	0.000	1	121.6277	2.211	6	121.6277	2.211	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	121.5828	0.486	4	121.5828	0.237	4	121.6277	2.211	6	121.6277	2.211	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	129.7620	0.000	1	129.7620	0.000	1	126.6415	4.813	4	126.6415	4.813	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	125.6013	0.853	3	125.6013	0.728	3	126.6415	4.813	4	126.6415	4.813	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	126.1725	1.725	2	126.1725	2.974	2	124.4515	2.610	6	124.4515	2.610	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	C(C[5a]N[5a]2)(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	123.5910	0.629	4	123.5910	0.396	4	124.4515	2.610	6	124.4515	2.610	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:C-4:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	126.2757	0.491	3	126.2757	0.241	3	125.7870	0.669	5	125.7870	0.669	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:C-4:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	125.0540	0.635	2	125.0540	0.403	2	125.7870	0.669	5	125.7870	0.669	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	122.9137	1.023	3	122.9137	1.046	3	122.9503	0.703	4	122.7255	0.893	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:1:	N[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](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|P<4>}	123.0600	0.000	1	123.0600	0.000	1	122.9503	0.703	4	122.7255	0.893	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	122.2760	1.324	2	122.2760	1.752	2	122.2760	1.752	2	122.7255	0.893	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:3:	N[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](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|F<1>,4|C<3>}	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	123.0987	2.581	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|C<3>}	123.6953	1.318	3	123.6953	1.736	3	123.6953	1.736	3	123.0987	2.581	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	124.7930	0.000	1	124.7930	0.000	1	124.7930	0.000	1	124.6047	0.273	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:4:	N[5a]-3:N[5a]-2: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]C)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	124.0140	0.000	1	124.0140	0.000	1	124.5105	0.493	2	124.6047	0.273	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:4:	N[5a]-3:N[5a]-2: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]C)(N[5a]N[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	125.0070	0.000	1	125.0070	0.000	1	124.5105	0.493	2	124.6047	0.273	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO)	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO){2|C<3>,2|H<1>}	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	126.7860	0.000	1	126.7860	0.000	1	126.7860	0.000	1	126.7860	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:3:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	C(C[5a]N[5a]2)(CH3)2(NHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	C(C[5a]N[5a]2)(CH3)2(NHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	125.8780	0.000	1	125.8780	0.000	1	125.8780	0.000	1	125.8780	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CC3)(CH3)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CC3)(CH3)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	126.0270	0.000	1	126.0270	0.000	1	126.0270	0.000	1	126.0270	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3){1|Cl<1>,3|C<3>}	C(C[5a]N[5a]2)(CH3)3	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>}	127.4180	0.000	1	127.4180	0.000	1	127.4180	0.000	1	127.4180	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	6:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	B[5x3,4,9x5,6,6]-6:C[5a]-3:N[5a]-2:	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3){1|B<5>,4|B<6>}	C(C[5a]N[5a]2)(CH3)3	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a]){1|B<5>,3|B<6>,5|H<1>}	129.5920	0.000	1	129.5920	0.000	1	129.5920	0.000	1	129.5920	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	121.6550	0.417	2	122.2133	0.421	6	121.8404	0.433	16	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	122.4925	0.577	4	122.2133	0.421	6	121.8404	0.433	16	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	121.7060	0.143	2	121.6166	0.339	10	121.8404	0.433	16	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	121.2170	1.157	2	121.6166	0.339	10	121.8404	0.433	16	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	122.2230	0.000	1	121.6166	0.339	10	121.8404	0.433	16	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	121.5943	0.394	3	121.6166	0.339	10	121.8404	0.433	16	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	121.6570	0.822	2	121.6166	0.339	10	121.8404	0.433	16	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-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,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	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	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	122.3955	0.230	2	122.3955	0.053	2	122.3955	0.053	2	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	121.6120	0.000	1	121.8803	0.199	20	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	121.8944	0.453	19	121.8803	0.199	20	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]Br)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Br<1>,1|C<4>}	124.3240	0.000	1	124.3240	0.000	1	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	121.3360	0.000	1	121.7627	0.718	35	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	121.6864	0.864	30	121.7627	0.718	35	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	122.5485	0.173	2	121.7627	0.718	35	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	122.3350	0.713	2	121.7627	0.718	35	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C[5])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	122.2190	0.000	1	122.2190	0.000	1	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C[6a])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	120.1017	0.350	4	120.1017	0.122	4	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]Cl)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|C<4>}	123.6220	0.000	1	123.6220	0.000	1	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	121.6254	0.552	13	122.2151	8.721	37	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	122.9806	4.420	16	122.2151	8.721	37	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	121.6424	0.332	8	122.2151	8.721	37	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]N)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	123.2255	0.817	2	123.2255	0.667	2	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]N[5a])(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	123.3390	0.000	1	123.3390	0.000	1	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|S<4>}	122.5225	0.627	2	122.9207	0.415	4	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	123.3190	0.465	2	122.9207	0.415	4	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]Se)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Se<2>,1|C<4>}	121.4830	0.000	1	121.4830	0.000	1	122.0073	3.579	107	121.9922	3.118	125	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[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]N[5a]C)(N[5a]N[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC){1|C<3>}	123.6880	0.000	1	123.6880	0.000	1	123.6880	0.000	1	123.6880	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:N[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,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2: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	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	123.3750	0.000	1	123.3750	0.000	1	123.3750	0.000	1	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]Br)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|Br<1>,1|C<4>}	124.7395	0.397	2	124.7395	0.157	2	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){2|C<4>}	122.9837	0.912	3	122.9837	0.832	3	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	124.6850	0.000	1	124.6850	0.000	1	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O){2|C<4>}	123.3020	0.000	1	123.3020	0.000	1	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	123.0780	0.000	1	123.0780	0.000	1	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	122.3137	0.380	4	122.3137	0.145	4	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	124.8838	0.309	5	124.8838	0.095	5	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	125.0353	0.840	7	125.0353	0.706	7	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	123.5437	0.589	7	123.5437	0.347	7	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	123.9374	0.801	7	124.0440	0.641	8	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|H<1>,1|N<3>}	124.7900	0.000	1	124.0440	0.641	8	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS){1|C<4>,1|H<1>}	127.0340	0.263	2	127.0340	0.069	2	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C){1|C<4>,1|H<1>}	121.9590	0.436	2	121.9590	0.190	2	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){1|C<4>,1|H<1>}	122.8550	0.000	1	122.8550	0.000	1	124.0094	1.674	44	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	123.0235	0.623	19	122.8698	0.601	23	122.8698	0.601	23	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>}	122.1397	1.103	4	122.8698	0.601	23	122.8698	0.601	23	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:P-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP){1|C<4>,1|H<1>}	122.7195	0.234	2	122.7195	0.055	2	122.7195	0.055	2	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	124.8085	0.104	2	124.9586	0.631	5	124.9586	0.631	5	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.4220	0.079	2	124.9586	0.631	5	124.9586	0.631	5	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	126.3320	0.000	1	124.9586	0.631	5	124.9586	0.631	5	123.6947	1.586	76	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6]-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,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	123.8187	0.701	10	123.8187	0.491	10	123.8187	0.491	10	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-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,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	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	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	124.3040	0.000	1	124.3040	0.000	1	124.3040	0.000	1	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	123.0730	0.000	1	123.0730	0.000	1	123.0730	0.000	1	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	121.9440	0.249	3	121.9440	0.062	3	123.2106	2.040	7	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	122.8920	0.000	1	122.8920	0.000	1	123.2106	2.040	7	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	124.9940	0.733	2	124.9940	0.537	2	123.2106	2.040	7	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	123.7620	0.000	1	123.7620	0.000	1	123.2106	2.040	7	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[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]C[5a]Br)(N[5a]N[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|B<3>}	122.0820	0.000	1	122.0820	0.000	1	123.3495	3.213	2	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:N[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)(N[5a]N[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	124.6170	0.000	1	124.6170	0.000	1	123.3495	3.213	2	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	123.3690	0.000	1	123.3690	0.000	1	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|Cl<1>,1|C<4>}	125.0600	0.000	1	125.0600	0.000	1	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>,1|H<1>}	123.7763	0.662	7	123.6919	0.795	23	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	123.6549	0.993	16	123.6919	0.795	23	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir){1|C<4>,1|H<1>}	123.8580	0.419	2	123.8580	0.175	2	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh){1|C<4>,1|H<1>}	125.5250	0.000	1	125.5250	0.000	1	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	126.0043	0.165	3	126.0043	0.027	3	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	122.8583	0.685	18	123.1484	0.562	28	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	123.6707	0.572	10	123.1484	0.562	28	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH){1|C<3>}	124.5640	0.000	1	124.5640	0.000	1	123.6219	1.069	60	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]Br)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	123.4927	1.074	3	123.4927	1.154	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]Br)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	123.6850	0.000	1	123.6850	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	121.9265	0.146	2	121.8973	0.013	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	121.8390	0.000	1	121.8973	0.013	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	122.8873	0.349	3	122.8873	0.122	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	123.4290	0.336	3	123.4290	0.113	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){2|C<4>}	124.0100	0.000	1	124.0100	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	121.4360	0.300	2	121.4360	0.090	2	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	122.7690	0.000	1	122.7690	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	123.0302	0.629	6	122.7344	0.374	21	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	122.6161	0.584	15	122.7344	0.374	21	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	122.7620	0.000	1	122.7620	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	123.2750	0.511	5	123.2750	0.261	5	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){1|C<4>,1|H<1>}	126.2110	0.000	1	126.2110	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	122.7307	0.388	3	122.7307	0.151	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	122.6347	0.451	13	122.6347	0.203	13	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	122.1125	0.414	4	122.3232	0.228	6	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	122.7445	0.302	2	122.3232	0.228	6	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	123.4315	0.320	2	123.4315	0.103	2	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	122.4900	0.000	1	122.4900	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	125.7377	0.641	3	125.7377	0.411	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	123.7443	1.039	6	123.7443	1.079	6	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	122.9990	0.045	3	122.9990	0.002	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	121.7140	0.000	1	121.7140	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	123.4187	1.613	3	123.4187	2.601	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	123.6962	0.679	20	123.6962	0.460	20	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	123.1073	0.622	3	123.1073	0.387	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH){1|C<4>,1|H<1>}	122.0330	0.000	1	122.0330	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	123.3100	0.000	1	123.3100	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<2>}	123.8380	0.782	3	123.8380	0.611	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	124.0490	0.000	1	124.0490	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	123.7153	0.465	3	123.7153	0.216	3	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	123.2676	0.437	9	123.2676	0.191	9	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>}	122.7660	0.000	1	122.7660	0.000	1	123.1647	0.860	128	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN){1|C<4>,1|H<1>}	124.2160	0.000	1	124.2160	0.000	1	124.1947	2.071	3	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	124.1840	2.035	2	124.1840	4.141	2	124.1947	2.071	3	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO){1|C<4>,1|H<1>}	124.5850	0.000	1	124.5850	0.000	1	125.1710	0.408	3	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<4>,1|H<1>}	125.0760	0.000	1	125.4640	0.301	2	125.1710	0.408	3	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<2>}	125.8520	0.000	1	125.4640	0.301	2	125.1710	0.408	3	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:Si-4:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3){1|C<4>,1|H<1>}	123.6030	0.000	1	123.6030	0.000	1	122.1715	0.265	17	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:Si-4:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3){1|C<4>,1|H<1>}	122.0820	0.371	16	122.0820	0.138	16	122.1715	0.265	17	123.2737	1.100	233	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,5a]-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[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3)	C(C[5a]C[5,5a]N[5a])(F)3	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H)	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	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H){4|C<3>}	121.0915	0.247	2	121.0915	0.061	2	121.0915	0.061	2	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-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,6]C[5a,6]C[6])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)2(H)	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	N[5a](C[5a]C[5a,6]C)2(H){2|C<4>}	122.5570	0.000	1	122.5570	0.000	1	122.5570	0.000	1	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]Br)(N[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	121.4820	0.000	1	121.4820	0.000	1	120.6125	0.770	4	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	119.4210	0.000	1	119.4210	0.000	1	120.6125	0.770	4	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.7735	0.285	2	120.7735	0.081	2	120.6125	0.770	4	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	120.0560	0.000	1	119.5215	0.571	2	119.5215	0.571	2	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	118.9870	0.000	1	119.5215	0.571	2	119.5215	0.571	2	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H){4|C<3>}	119.6737	0.338	3	119.6737	0.114	3	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.1043	0.849	21	120.0642	0.752	33	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	119.7588	0.267	4	120.0642	0.752	33	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.1118	1.134	8	120.0642	0.752	33	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){3|C<3>}	117.3715	0.047	2	117.3715	0.002	2	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.3740	0.000	1	118.6522	3.043	4	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.4290	0.000	1	118.6522	3.043	4	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.9030	1.047	2	118.6522	3.043	4	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.9880	0.000	1	119.9880	0.000	1	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	120.1480	0.000	1	120.1480	0.000	1	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.0590	0.000	1	119.7130	0.860	4	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.8670	0.000	1	119.7130	0.860	4	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a,6a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	118.9630	0.051	2	119.7130	0.860	4	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.7120	0.000	1	121.4010	0.949	2	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	122.0900	0.000	1	121.4010	0.949	2	119.8456	1.257	50	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	121.7770	0.642	2	121.7770	0.412	2	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|C<3>,1|I<1>}	120.5900	1.714	2	120.5900	2.938	2	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]F)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]F)(H){1|C<3>,1|H<1>}	120.1560	0.392	2	120.1560	0.153	2	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|C<3>}	120.7560	0.885	2	120.7560	0.784	2	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(H){2|C<3>}	120.4025	0.366	11	120.4025	0.134	11	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	119.9519	0.744	9	120.9259	0.809	36	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.4544	0.642	17	120.9259	0.809	36	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	120.0900	0.000	1	120.9259	0.809	36	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	120.9948	0.639	9	120.9259	0.809	36	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	122.4650	0.000	1	122.4650	0.000	1	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.6910	0.000	1	120.4155	0.339	4	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.9530	0.000	1	120.4155	0.339	4	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	120.4100	0.000	1	120.4155	0.339	4	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	119.6080	0.000	1	120.4155	0.339	4	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	121.1770	0.000	1	120.7943	0.195	7	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	121.1500	0.000	1	120.7943	0.195	7	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	120.6466	0.444	5	120.7943	0.195	7	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	121.5305	0.168	2	121.5305	0.028	2	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]F)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|F<1>,1|H<1>}	123.6585	0.069	2	123.6585	0.005	2	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]2)(C[5a]C[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	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.0900	0.000	1	122.3413	1.176	3	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]2)(C[5a]C[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	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	122.9670	0.057	2	122.3413	1.176	3	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]P)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]P)(H){1|C<4>,1|H<1>}	120.5730	0.000	1	120.5730	0.000	1	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	121.7525	0.421	11	121.5188	0.823	13	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.2335	2.048	2	121.5188	0.823	13	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.8870	0.000	1	121.7913	0.676	3	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	122.2435	0.354	2	121.7913	0.676	3	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.0550	0.000	1	121.8275	0.299	6	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.1090	0.000	1	121.8275	0.299	6	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	121.9502	0.537	4	121.8275	0.299	6	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	120.9590	0.000	1	120.9590	0.000	1	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]O)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|O<2>}	122.6465	0.351	2	122.6465	0.124	2	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|S<4>}	121.8990	0.000	1	121.8990	0.000	1	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]N[5a])(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	121.5170	0.000	1	121.5170	0.000	1	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	123.0767	0.995	3	122.8095	0.624	6	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	122.5423	0.596	3	122.8095	0.624	6	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]H)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	123.1480	0.000	1	123.1480	0.000	1	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]N)(N[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|N<3>}	122.9400	0.000	1	122.9400	0.000	1	121.2789	1.112	110	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:O-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	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	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,2|C<3>}	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	120.3060	0.000	1	120.3060	0.000	1	121.0270	0.361	5	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	121.3990	0.000	1	121.3990	0.000	1	121.0270	0.361	5	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	120.8480	0.000	1	120.7920	0.006	2	121.0270	0.361	5	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|H<1>,1|O<1>}	120.7360	0.000	1	120.7920	0.006	2	121.0270	0.361	5	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|O<1>,1|S<2>}	121.8460	0.000	1	121.8460	0.000	1	121.0270	0.361	5	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	118.7410	0.000	1	118.9280	1.457	4	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	118.2690	1.096	2	118.9280	1.457	4	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	120.4330	0.000	1	118.9280	1.457	4	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	119.9259	0.641	7	119.2999	1.050	16	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	118.8130	1.025	9	119.2999	1.050	16	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(H){1|C<3>,1|C<4>}	121.1140	0.000	1	121.1140	0.000	1	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[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	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(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	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	120.0180	0.042	2	120.0180	0.002	2	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	119.8585	0.076	2	119.8585	0.006	2	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|S<2>,2|C<3>}	120.8277	0.350	3	120.8277	0.122	3	119.5664	1.144	28	120.6194	1.903	203	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	122.7200	0.000	1	122.7200	0.000	1	122.7200	0.000	1	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	124.1548	2.426	4	124.1548	5.888	4	124.1548	5.888	4	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC){1|F<1>,3|C<3>}	119.5320	0.000	1	119.5320	0.000	1	119.5320	0.000	1	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:O-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	122.7010	0.185	2	122.7010	0.034	2	122.7010	0.034	2	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]P)(N[5a]C[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH){1|C<4>,1|P<4>}	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	123.9390	0.000	1	123.3315	0.738	2	124.7972	2.324	13	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	122.7240	0.000	1	123.3315	0.738	2	124.7972	2.324	13	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	126.7373	0.229	4	125.2658	1.954	10	124.7972	2.324	13	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	124.2848	0.774	6	125.2658	1.954	10	124.7972	2.324	13	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	123.0430	0.000	1	123.0430	0.000	1	124.7972	2.324	13	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	123.5100	0.000	1	123.5100	0.000	1	123.8720	0.610	5	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	123.9625	0.871	4	123.9625	0.759	4	123.8720	0.610	5	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	122.9890	0.000	1	122.9890	0.000	1	123.7050	1.025	2	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	124.4210	0.000	1	124.4210	0.000	1	123.7050	1.025	2	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:F-1:F-1:F-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	127.3010	0.000	1	127.3010	0.000	1	127.3010	0.000	1	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:2:	N[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](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	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)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	127.0910	0.000	1	127.0910	0.000	1	127.0910	0.000	1	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	124.2045	0.090	2	124.2045	0.008	2	124.2045	0.008	2	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	123.8850	0.000	1	123.8850	0.000	1	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	122.4127	0.257	3	122.6732	1.176	11	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	123.7010	0.000	1	122.6732	1.176	11	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	122.6380	1.314	7	122.6732	1.176	11	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	124.4350	0.000	1	124.1072	0.379	6	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	124.0416	0.665	5	124.1072	0.379	6	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	125.5480	0.000	1	124.9805	1.206	11	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	126.2273	0.595	3	124.9805	1.206	11	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>}	124.3650	0.787	7	124.9805	1.206	11	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	123.9910	0.000	1	125.2915	0.765	6	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.5516	0.670	5	125.2915	0.765	6	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	120.8130	0.000	1	124.5375	0.931	34	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	124.6054	0.679	32	124.5375	0.931	34	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,4|C<3>}	126.0890	0.000	1	124.5375	0.931	34	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	124.5650	0.725	4	124.5650	0.525	4	124.3425	1.450	73	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	122.4640	0.000	1	122.2440	0.097	2	123.0413	1.956	3	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	122.0240	0.000	1	122.2440	0.097	2	123.0413	1.956	3	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.6360	0.000	1	124.6360	0.000	1	123.0413	1.956	3	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	124.9370	0.000	1	124.9370	0.000	1	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.4145	1.654	2	125.4145	2.735	2	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5900	0.000	1	123.3580	0.108	2	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	123.1260	0.000	1	123.3580	0.108	2	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	125.5680	0.000	1	125.2851	1.014	9	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	123.0240	0.000	1	125.2851	1.014	9	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	125.5407	0.683	6	125.2851	1.014	9	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	125.7300	0.000	1	125.2851	1.014	9	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3: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	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[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	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,4|C<3>}	124.9250	0.000	1	124.9250	0.000	1	124.9982	1.245	15	124.3422	2.024	124	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5a]-3:C[5a]-3:C[6a]-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	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	122.6950	0.482	2	122.6950	0.233	2	122.6950	0.233	2	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	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]-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	N[5a](C[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])(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	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	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:	Ge[5a]-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	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	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	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	125.3090	0.000	1	125.3090	0.000	1	125.3090	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	125.1640	0.000	1	125.1640	0.000	1	125.1640	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2){2|C<3>,2|H<1>}	122.8210	0.000	1	122.8210	0.000	1	122.8210	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	122.8095	0.993	15	122.8095	0.987	15	122.6977	0.944	18	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	122.9960	0.000	1	122.9960	0.000	1	122.6977	0.944	18	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]I)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<2>,2|C<3>}	121.7100	0.085	2	121.7100	0.007	2	122.6977	0.944	18	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC){1|C<2>,1|H<1>,2|C<3>}	122.3315	0.351	2	122.3315	0.124	2	121.6733	1.361	3	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH){1|H<1>,3|C<3>}	120.3570	0.000	1	120.3570	0.000	1	121.6733	1.361	3	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){1|C<3>,1|H<1>}	124.1910	0.000	1	124.1910	0.000	1	122.2122	0.804	8	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN){1|C<4>}	122.1252	0.346	5	122.1252	0.120	5	122.2122	0.804	8	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN){1|C<4>}	121.4405	0.056	2	121.4405	0.003	2	122.2122	0.804	8	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	122.8280	0.000	1	122.8280	0.000	1	122.8280	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(NCH)	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	N[5a](C[5a]C[5a]C)2(NCH){2|C<3>}	120.9967	0.525	4	120.9967	0.276	4	121.1154	0.277	5	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]N)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	121.5900	0.000	1	121.5900	0.000	1	121.1154	0.277	5	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	122.8320	0.000	1	122.8320	0.000	1	122.8320	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|H<1>,5|C<3>}	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	120.9195	0.098	2	120.9195	0.010	2	120.9195	0.010	2	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	121.1200	0.000	1	121.1200	0.000	1	121.3050	0.068	2	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	121.4900	0.000	1	121.4900	0.000	1	121.3050	0.068	2	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	121.7190	0.000	1	122.5874	0.388	7	122.3118	0.941	8	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[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>}	122.9198	0.314	5	122.5874	0.388	7	122.3118	0.941	8	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	121.7940	0.000	1	122.5874	0.388	7	122.3118	0.941	8	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<4>,4|C<3>}	120.3820	0.000	1	120.3820	0.000	1	122.3118	0.941	8	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.9880	0.611	4	121.9880	0.374	4	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	122.1365	1.290	2	122.0706	0.632	8	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	121.4370	0.288	3	122.0706	0.632	8	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	122.6603	0.410	3	122.0706	0.632	8	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	121.0410	0.000	1	121.8599	0.925	11	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.8700	0.000	1	121.8599	0.925	11	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	122.1520	0.000	1	121.8599	0.925	11	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	122.5303	0.374	6	121.8599	0.925	11	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	121.0800	0.000	1	121.8599	0.925	11	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.1340	0.000	1	121.8599	0.925	11	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	122.9300	0.699	2	122.9300	0.488	2	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	122.3732	0.426	4	122.0931	0.555	13	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	123.4200	0.000	1	122.0931	0.555	13	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	121.2863	0.305	3	122.0931	0.555	13	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	122.1340	0.972	3	122.0931	0.555	13	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	122.0180	0.035	2	122.0931	0.555	13	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	122.9620	0.000	1	122.9620	0.000	1	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	122.9590	0.000	1	122.9590	0.000	1	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	122.7752	0.351	10	122.7752	0.123	10	122.2344	0.618	50	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2)	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	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2){2|C<3>,4|C<4>}	121.0847	0.251	4	121.0847	0.063	4	121.0847	0.063	4	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2	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	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2{1|N<2>,2|C<3>,2|H<1>}	121.6995	0.093	2	121.6995	0.009	2	121.5360	0.239	7	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	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	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	121.4873	0.669	4	121.4873	0.448	4	121.5360	0.239	7	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C)	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	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	121.4040	0.000	1	121.4040	0.000	1	121.5360	0.239	7	122.2335	0.998	118	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,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,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH)	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	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH){1|C<3>,1|N<3>}	123.1890	0.000	1	123.1890	0.000	1	123.1890	0.000	1	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	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	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH)	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	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH){2|C<3>}	126.6840	0.570	2	126.6840	0.325	2	126.6840	0.325	2	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	126.4710	0.000	1	126.4710	0.000	1	124.3286	1.627	5	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	123.7930	0.507	4	123.7930	0.257	4	124.3286	1.627	5	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	122.3620	0.000	1	122.3620	0.000	1	121.8490	0.526	2	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	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	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	121.3360	0.000	1	121.3360	0.000	1	121.8490	0.526	2	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	120.4300	0.000	1	120.7195	0.168	2	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	121.0090	0.000	1	120.7195	0.168	2	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	121.2890	0.000	1	121.2890	0.000	1	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	120.4275	0.932	4	120.6216	0.840	5	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	121.3980	0.000	1	120.6216	0.840	5	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.3814	0.718	14	120.6227	0.600	24	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	120.9605	0.757	10	120.6227	0.600	24	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH)	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	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	121.3620	0.000	1	121.3620	0.000	1	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[4a])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	120.3650	0.058	2	120.3650	0.003	2	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	121.4138	0.795	5	121.0482	0.684	9	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.2190	0.000	1	121.0482	0.684	9	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	120.7153	0.792	3	121.0482	0.684	9	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a])(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	121.6210	0.000	1	121.6210	0.000	1	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	122.8950	0.474	6	122.8950	0.224	6	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(N[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	121.9040	0.000	1	121.9040	0.000	1	121.0231	1.019	52	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	125.5500	0.731	3	123.6576	0.910	22	123.6698	0.872	23	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	123.2982	0.565	5	123.6576	0.910	22	123.6698	0.872	23	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	123.3804	0.575	14	123.6576	0.910	22	123.6698	0.872	23	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	123.9390	0.000	1	123.9390	0.000	1	123.6698	0.872	23	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	122.0990	0.245	3	121.9216	0.263	5	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	121.0660	0.000	1	121.9216	0.263	5	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	122.2450	0.000	1	121.9216	0.263	5	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(CCHH)	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	N[5a](C[5a]C[5a]C)2(CCHH){2|C<3>}	122.0475	2.723	8	122.0643	6.488	9	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(CCHH)	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	N[5a](C[5a]C[5a]C)2(CCHH){1|C<3>,1|C<4>}	122.1990	0.000	1	122.0643	6.488	9	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	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	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	122.1630	0.000	1	122.1630	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	122.5690	0.000	1	122.3050	0.271	3	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<4>}	121.7050	0.000	1	122.3050	0.271	3	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	122.6410	0.000	1	122.3050	0.271	3	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(COOU)	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	N[5a](C[5a]C[5a]C)2(COOU){2|C<4>}	123.7560	0.721	2	123.7560	0.520	2	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(CH3)	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	N[5a](C[5a]C[5a]C)2(CH3){1|C<3>,1|H<1>}	121.6723	0.610	3	121.6723	0.373	3	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	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	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	121.9120	0.000	1	121.9120	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	121.7370	0.000	1	121.7370	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	121.1560	0.000	1	121.1560	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(CCHH)	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	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	122.7497	0.085	3	122.7497	0.007	3	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	123.0020	0.000	1	123.0020	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(CH3)	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	N[5a](C[5a]C[5a]C)2(CH3){1|H<1>,1|N<2>}	121.5730	0.000	1	121.5730	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	123.8270	0.000	1	123.8270	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(CH3)	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	N[5a](C[5a]C[5a]C)2(CH3){1|H<1>,1|N<2>}	123.4880	0.000	1	123.4880	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	123.7690	0.000	1	123.7690	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	121.0650	0.000	1	121.0650	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]N[5a])(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	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	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	121.9790	0.000	1	121.9790	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	122.5993	0.726	3	122.5993	0.527	3	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	122.2940	0.496	6	122.2940	0.246	6	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(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	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	123.0700	0.000	1	123.0700	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]H)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH){1|H<1>,1|N<3>}	122.8580	0.294	2	122.8580	0.087	2	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]P)(N[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	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	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|P<4>,2|C<3>}	123.0510	0.000	1	123.0510	0.000	1	122.3459	1.598	49	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]Br)(N[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)2(SC[6a]OO){2|Br<1>}	126.0295	0.076	2	126.0295	0.006	2	124.6448	1.407	6	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)2(SC[6a]OO){2|C<3>}	124.2450	0.822	2	124.2450	0.675	2	124.6448	1.407	6	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(SCOO)	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	N[5a](C[5a]C[5a]C)2(SCOO){1|C<3>,1|H<1>}	124.0200	0.000	1	124.0200	0.000	1	124.6448	1.407	6	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|S<2>}	123.3000	0.000	1	123.3000	0.000	1	124.6448	1.407	6	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N[5a]-3:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H){1|C<3>,1|H<1>}	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	120.5100	0.000	1	120.5100	0.000	1	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	117.9135	2.024	2	120.3321	3.557	7	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	121.2996	0.464	5	120.3321	3.557	7	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	121.3597	0.507	61	121.3428	0.311	80	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	121.1582	0.680	16	121.3428	0.311	80	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	121.9830	0.485	3	121.3428	0.311	80	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	122.0600	0.000	1	121.5040	0.618	2	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	120.9480	0.000	1	121.5040	0.618	2	121.2585	0.605	90	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[3]-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H){4|C<3>,4|H<1>}	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-4:	C[5a](N[5a]C[5a]C[4])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(C[4]C[4]2H)	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	N[5a](C[5a]C[5a]C)2(C[4]C[4]2H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	123.2275	1.183	2	123.2275	1.399	2	123.2275	1.399	2	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	121.9310	2.220	236	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:4:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	124.3940	0.479	2	124.3940	0.230	2	124.3940	0.230	2	122.8032	1.379	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:P[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	124.3670	0.000	1	124.3670	0.000	1	124.3670	0.000	1	122.8032	1.379	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:Si-4:N[5a]-2:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a]){1|C<4>,1|H<1>}	123.5560	0.000	1	123.5560	0.000	1	122.2100	0.462	8	122.8032	1.379	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:Si-4:N[5a]-2:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a]){1|C<4>,1|H<1>}	121.5520	0.000	1	121.5520	0.000	1	122.2100	0.462	8	122.8032	1.379	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:Si-4:N[5a]-2:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a]){1|C<4>,1|H<1>}	122.0953	0.427	6	122.0953	0.183	6	122.2100	0.462	8	122.8032	1.379	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:4:3:	N[5a]-3:C[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](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	123.2830	0.000	1	123.2830	0.000	1	123.2830	0.000	1	123.2830	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	122.8365	0.412	2	122.8365	0.170	2	123.9594	1.274	16	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	125.5295	0.103	2	125.5295	0.011	2	123.9594	1.274	16	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	123.9032	1.032	6	123.9032	1.065	6	123.9594	1.274	16	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	125.0585	0.548	2	125.0585	0.300	2	123.9594	1.274	16	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	123.2707	0.712	4	123.2707	0.507	4	123.9594	1.274	16	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|P<4>}	123.9120	0.167	2	123.9120	0.028	2	123.8740	0.370	10	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|P<4>}	123.7610	0.865	4	123.8645	0.471	8	123.8740	0.370	10	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	123.9680	0.568	4	123.8645	0.471	8	123.8740	0.370	10	123.9266	0.899	26	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	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	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.0060	0.000	1	123.0885	0.014	2	123.0885	0.014	2	123.0885	0.014	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	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	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.1710	0.000	1	123.0885	0.014	2	123.0885	0.014	2	123.0885	0.014	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	5:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	Si[4,4]-5:C[5a]-3:N[5a]-2:	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|N<3>}	122.5220	0.000	2	122.5220	0.000	2	124.1260	1.544	6	124.1260	1.544	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	5:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:H-1:H-1:	Si[4,4]-5:C[5a]-3:N[5a]-2:	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|N<3>}	124.9280	0.032	4	124.9280	0.001	4	124.1260	1.544	6	124.1260	1.544	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]O)(N[5a]N[5a]H)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|O<2>}	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	121.9920	0.000	1	121.9920	0.000	1	124.3298	1.728	11	124.3298	1.728	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	124.8630	0.000	1	124.8630	0.000	1	124.3298	1.728	11	124.3298	1.728	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	126.1805	0.469	2	126.1805	0.220	2	124.3298	1.728	11	124.3298	1.728	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	124.4680	0.000	1	124.4680	0.000	1	124.3298	1.728	11	124.3298	1.728	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	123.6360	0.245	2	123.6360	0.060	2	124.3298	1.728	11	124.3298	1.728	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	124.2050	0.846	2	124.2050	0.715	2	124.3298	1.728	11	124.3298	1.728	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH){1|H<1>}	124.1310	1.609	2	124.1310	2.590	2	124.3298	1.728	11	124.3298	1.728	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:H-1:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	119.9260	3.246	2	119.9260	10.534	2	119.9260	10.534	2	120.8655	4.690	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.8050	0.075	2	121.8050	0.006	2	121.8050	0.006	2	120.8655	4.690	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	122.6430	1.310	2	122.6430	1.715	2	122.6430	1.715	2	122.6213	0.859	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	122.5780	0.000	1	122.5780	0.000	1	122.5780	0.000	1	122.6213	0.859	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>}	126.3450	0.000	1	126.3450	0.000	1	126.3450	0.000	1	122.6496	7.390	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	122.6496	7.390	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:3:	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[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	121.2040	0.000	1	121.2040	0.000	1	122.8165	5.200	2	122.6496	7.390	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:3:	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[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	124.4290	0.000	1	124.4290	0.000	1	122.8165	5.200	2	122.6496	7.390	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	121.7600	0.000	1	121.7600	0.000	1	121.7600	0.000	1	122.6496	7.390	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	122.5005	0.407	2	122.5005	0.165	2	123.3487	1.127	4	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	124.1970	0.580	2	124.1970	0.336	2	123.3487	1.127	4	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]Cl)(N[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	124.3400	0.000	1	124.3400	0.000	1	124.5615	0.098	2	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]H)(N[5a]C[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	124.7830	0.000	1	124.7830	0.000	1	124.5615	0.098	2	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CHHO)	C(C[5a]C[5a]N[5a])(OSi)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>}	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:4:	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-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	120.0087	0.116	3	120.0087	0.013	3	120.0087	0.013	3	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	125.7550	0.000	1	125.7550	0.000	1	125.0820	0.906	2	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	124.4090	0.000	1	124.4090	0.000	1	125.0820	0.906	2	123.0309	4.156	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	126.0280	0.000	1	126.0280	0.000	1	126.0280	0.000	1	123.6732	2.790	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2: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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	123.6732	2.790	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	123.6940	0.000	1	123.6940	0.000	1	123.6940	0.000	1	123.6732	2.790	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2: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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	123.6732	2.790	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2: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	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.1110	0.000	1	125.1110	0.000	1	125.1110	0.000	1	125.1110	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCS)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	120.8560	0.000	1	120.8560	0.000	1	123.6980	16.154	2	124.3033	3.072	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]N[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	126.5400	0.000	1	126.5400	0.000	1	123.6980	16.154	2	124.3033	3.072	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	123.6260	0.000	1	123.6260	0.000	1	124.3527	0.624	3	124.3033	3.072	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	124.7160	0.675	2	124.7160	0.455	2	124.3527	0.624	3	124.3033	3.072	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[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]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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	124.0163	1.115	3	124.0163	1.243	3	124.0163	1.243	3	124.3033	3.072	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	126.2270	0.000	1	126.2270	0.000	1	126.2270	0.000	1	124.3033	3.072	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	122.8210	0.000	1	122.8210	0.000	1	122.8210	0.000	1	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,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	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[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	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	118.3900	0.000	1	118.3900	0.000	1	118.3900	0.000	1	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.4310	0.000	1	119.4310	0.000	1	120.3290	0.634	3	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<3>,2|C<3>}	120.7780	0.243	2	120.7780	0.059	2	120.3290	0.634	3	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCO)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	119.9090	0.000	1	119.9090	0.000	1	121.6290	0.507	10	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.7338	0.231	4	121.7338	0.053	4	121.6290	0.507	10	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.0097	0.507	4	122.0097	0.257	4	121.6290	0.507	10	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.4070	0.000	1	121.4070	0.000	1	121.6290	0.507	10	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	121.5753	0.846	7	121.4833	0.437	15	121.6207	0.507	32	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.4797	0.544	6	121.4833	0.437	15	121.6207	0.507	32	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.1720	0.317	2	121.4833	0.437	15	121.6207	0.507	32	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	121.8399	0.787	11	121.8399	0.620	11	121.6207	0.507	32	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	121.4460	0.000	1	121.4405	0.356	4	121.6207	0.507	32	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.4387	0.731	3	121.4405	0.356	4	121.6207	0.507	32	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.8055	1.149	2	121.8055	1.320	2	121.6207	0.507	32	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.4120	0.000	1	121.4120	0.000	1	120.4198	1.015	4	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.2900	0.000	1	119.2900	0.000	1	120.4198	1.015	4	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	119.8660	0.000	1	119.8660	0.000	1	120.4198	1.015	4	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	121.1110	0.000	1	121.1110	0.000	1	120.4198	1.015	4	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	121.1310	0.573	2	121.1310	0.328	2	121.1310	0.328	2	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|O<2>}	121.3535	0.059	2	121.3535	0.003	2	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	122.0850	0.000	1	122.0850	0.000	1	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.2909	1.223	10	121.5447	1.228	30	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.6715	1.055	20	121.5447	1.228	30	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.0885	0.619	2	121.0885	0.383	2	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.6440	0.000	1	121.6440	0.000	1	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	116.5465	0.633	2	116.5465	0.401	2	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>}	121.9465	1.416	2	121.9465	2.006	2	121.2985	2.232	40	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.5550	0.000	1	121.5550	0.000	1	121.3434	2.655	10	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.7900	0.540	2	121.7900	0.292	2	121.3434	2.655	10	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.1856	1.957	7	121.1856	3.831	7	121.3434	2.655	10	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	122.2040	0.458	2	122.2040	0.210	2	122.2040	0.210	2	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.9665	1.326	2	121.9665	1.758	2	121.9665	1.758	2	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.9382	0.600	4	121.9382	0.360	4	121.9382	0.360	4	121.4032	1.482	111	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	118.4540	0.000	1	118.4540	0.000	1	118.4540	0.000	1	120.4441	9.948	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	124.0615	0.278	2	124.0615	0.077	2	124.0615	0.077	2	120.4441	9.948	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:Ge-2:	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	N[5a](C[5a]C[5a]C)2(GeCl)	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	N[5a](C[5a]C[5a]C)2(GeCl){2|H<1>}	115.3350	0.569	2	115.3350	0.323	2	115.3350	0.323	2	120.4441	9.948	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	120.4441	9.948	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	120.4441	9.948	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	121.1660	0.775	3	121.1660	0.600	3	121.1660	0.600	3	120.4441	9.948	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	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]-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	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	122.8200	0.000	1	122.8200	0.000	1	122.8200	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	124.2270	0.000	1	124.2270	0.000	1	124.2270	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	120.4030	0.000	1	120.4030	0.000	1	120.4030	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]I)(N[5a]C[5a,6a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NSS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<1>,2|C<3>}	122.5550	0.000	1	122.5550	0.000	1	122.5550	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	125.5730	0.000	1	125.5730	0.000	1	124.5687	0.788	3	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	124.0665	0.250	2	124.0665	0.062	2	124.5687	0.788	3	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[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)(N[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO){1|C<4>,1|O<1>}	121.6780	0.000	1	121.6780	0.000	1	121.6780	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:F-1:F-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF)	C(C[5a]C[5a]N[5a])(CNO)(F)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	121.7320	0.000	1	121.7320	0.000	1	121.7320	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[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[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	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[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[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>}	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a]-3:C[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](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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]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>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a]-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]C[5a]C[6a])(C[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	118.7815	0.234	2	118.7815	0.055	2	118.7815	0.055	2	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	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:C[6a]-3:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	123.4030	0.000	1	123.4030	0.000	1	123.4030	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-3:H-1:H-1:	C[5a]-3:C[5a]-3:Si[4]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2){1|C<3>,2|C<4>,2|H<1>}	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	122.0259	3.359	18	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6]-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,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a,6]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH)	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	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	119.4980	0.000	1	119.4980	0.000	1	121.0143	2.119	3	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	121.1440	0.000	1	121.1440	0.000	1	121.0143	2.119	3	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|S<3>,2|C<3>}	122.4010	0.000	1	122.4010	0.000	1	121.0143	2.119	3	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	126.9750	0.000	1	126.9750	0.000	1	125.2560	5.910	2	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	123.5370	0.000	1	123.5370	0.000	1	125.2560	5.910	2	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]C)2(CH3)	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	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:P-4:	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co){2|H<1>}	123.9795	1.450	2	123.9795	2.103	2	124.2955	1.146	4	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:P-4:	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni){2|H<1>}	124.6115	0.967	2	124.6115	0.934	2	124.2955	1.146	4	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	121.2810	0.000	1	121.2810	0.000	1	121.2810	0.000	1	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	125.3930	0.454	3	125.3930	0.206	3	124.4285	0.828	10	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	123.5550	0.000	1	124.2700	0.264	4	124.4285	0.828	10	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	124.5083	0.235	3	124.2700	0.264	4	124.4285	0.828	10	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	123.1520	0.103	2	123.1520	0.011	2	124.4285	0.828	10	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	124.7220	0.000	1	124.7220	0.000	1	124.4285	0.828	10	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(CCHH){1|C<3>,1|C<4>}	122.0300	0.000	1	122.0300	0.000	1	122.3845	0.074	6	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	122.4295	0.261	4	122.4295	0.068	4	122.3845	0.074	6	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	122.5590	0.000	1	122.5590	0.000	1	122.3845	0.074	6	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Se<2>,1|C<3>}	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	125.5190	0.000	1	125.5190	0.000	1	125.4244	4.332	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	123.5990	0.000	1	123.5990	0.000	1	125.4244	4.332	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	124.5340	0.000	1	124.5340	0.000	1	125.4244	4.332	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	128.1485	0.701	2	128.1485	0.491	2	125.4244	4.332	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	122.8860	0.000	1	122.8860	0.000	1	125.4244	4.332	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	125.1360	0.000	1	125.1360	0.000	1	125.4244	4.332	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	123.7095	0.622	4	123.7095	0.387	4	123.4137	0.866	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]Al)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	123.7290	0.000	1	123.7290	0.000	1	123.4137	0.866	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]Al)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	123.7750	0.000	1	123.7750	0.000	1	123.4137	0.866	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	121.5540	0.000	1	121.5540	0.000	1	123.4137	0.866	7	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHN)	C(C[5a]C[5a]N[5a])(NCS)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	122.1050	0.000	1	122.1050	0.000	1	122.1050	0.000	1	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	125.6730	0.000	1	125.6730	0.000	1	125.0350	0.814	2	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	124.3970	0.000	1	124.3970	0.000	1	125.0350	0.814	2	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[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]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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	123.7497	2.951	48	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:4:3:	N[5a]-3:C[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](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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C){3|C<3>,3|C<4>,3|H<1>}	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	4:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a])	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	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:1:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]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	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.2720	0.000	1	126.2720	0.000	1	126.2720	0.000	1	126.2720	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:2:1:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-2:N-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)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	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)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	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)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	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)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	124.2750	1.461	2	124.2750	2.134	2	124.2750	2.134	2	124.2750	2.134	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a]-3:N[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]C)(N[5a]C[5a]H)(CC[5a]HO)	C(C[5a]C[5a]N[5a])2(OC)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	121.3175	1.036	2	121.3175	1.073	2	121.3175	1.073	2	121.7322	0.603	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	122.1470	0.221	2	122.1470	0.049	2	122.1470	0.049	2	121.7322	0.603	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	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]-3:C[5a]-3:C[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)	N[5a](C[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]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)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	119.5630	0.511	2	119.5630	0.261	2	119.5630	0.261	2	120.7270	4.195	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	120.7270	4.195	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	122.6460	0.000	1	122.6460	0.000	1	122.6460	0.000	1	122.8337	5.808	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:O-2:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO){1|H<1>,3|C<3>}	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	122.8337	5.808	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	122.8337	5.808	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-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)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	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)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:2:4:	C[5a]-3:N[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]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)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	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)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	126.5550	0.000	1	126.5550	0.000	1	126.5550	0.000	1	126.5550	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,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,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)	N[5a](C[5a]C[5a,5a]C)2(H)	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)	N[5a](C[5a]C[5a,5a]C)2(H){2|C<3>}	118.7660	0.000	2	118.7660	0.000	2	118.7660	0.000	2	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-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,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)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(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)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H){2|C<3>}	127.7300	0.000	1	127.7300	0.000	1	127.7300	0.000	1	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6])(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(COO)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	122.9550	0.000	1	122.9550	0.000	1	123.5630	0.739	2	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	124.1710	0.000	1	124.1710	0.000	1	123.5630	0.739	2	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(COO)2(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){1|C<2>,1|C<3>}	122.4477	0.763	3	122.4477	0.582	3	122.4477	0.582	3	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.2550	0.663	2	121.2550	0.440	2	121.2550	0.440	2	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.2640	1.793	4	121.2640	3.216	4	121.2640	3.216	4	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.8450	0.000	1	117.8450	0.000	1	121.0656	2.046	8	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.5257	0.642	7	121.5257	0.412	7	121.0656	2.046	8	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.2558	0.612	5	121.2558	0.375	5	121.4346	0.950	16	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.5290	0.000	1	119.5290	0.000	1	121.4346	0.950	16	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	121.5450	0.112	2	122.1133	0.424	7	121.4346	0.950	16	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	122.3406	0.638	5	122.1133	0.424	7	121.4346	0.950	16	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.4565	1.131	2	120.4565	1.278	2	121.4346	0.950	16	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	121.4390	0.000	1	121.4390	0.000	1	121.4346	0.950	16	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]-3:H-1:	C[5a]-3:C[5a]-3: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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	122.4070	0.000	1	122.4070	0.000	1	122.4070	0.000	1	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.2895	1.955	2	119.2895	3.823	2	119.2800	1.912	3	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.2610	0.000	1	119.2610	0.000	1	119.2800	1.912	3	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N)(N[5a]C[5a]H)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCH)(H)	N[5a](C[5a]C[5a]C)2(H)	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)	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|N<3>}	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	121.3488	3.011	44	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[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)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	121.5215	0.008	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[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)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	121.5215	0.008	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:C-3:	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	122.5600	0.000	1	122.5600	0.000	1	122.5600	0.000	1	122.7458	3.130	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:3:	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:C[6a]-3:	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.7458	3.130	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5]-3:C[5a]-3:	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)	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C)	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)	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C){1|H<1>,6|C<3>}	120.9150	0.301	2	120.9150	0.091	2	120.9150	0.091	2	122.7458	3.130	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	123.9940	0.000	1	123.9940	0.000	1	123.9940	0.000	1	122.7458	3.130	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:3:	N[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[6a]-3:	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	125.4390	0.000	1	125.4390	0.000	1	125.4390	0.000	1	122.7458	3.130	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	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]-3:C[5a]-3:C-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)	N[5a](C[5a]C[5a,6]C)2(CC[6a]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)	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	121.3050	2.335	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	121.3920	0.000	1	121.3920	0.000	1	121.3920	0.000	1	121.3050	2.335	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	121.3050	2.335	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	123.0980	0.000	1	123.0980	0.000	1	123.0980	0.000	1	121.3050	2.335	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	121.3050	2.335	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	120.3265	0.530	2	120.3265	0.281	2	120.3265	0.281	2	120.2804	0.973	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.2730	1.898	2	120.2730	3.602	2	120.2497	1.803	3	120.2804	0.973	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(N[5a]C[5a,6a]H)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	120.2030	0.000	1	120.2030	0.000	1	120.2497	1.803	3	120.2804	0.973	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:3:2:	3:3:3:	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:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	119.8280	0.000	1	119.8280	0.000	1	119.8280	0.000	1	119.8280	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a,6a]S)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	125.8470	0.000	1	125.8470	0.000	1	125.8470	0.000	1	125.8470	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	123.7640	0.000	1	123.7640	0.000	1	123.7640	0.000	1	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]Br)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	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)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){2|Br<1>}	120.9190	1.147	6	120.9190	1.315	6	121.4519	0.694	26	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]C)2(H)	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)	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.5125	1.415	2	121.5125	2.002	2	121.4519	0.694	26	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.7354	0.559	16	121.7354	0.313	16	121.4519	0.694	26	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.7710	0.000	1	120.7710	0.000	1	121.4519	0.694	26	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	120.6730	0.000	1	120.6730	0.000	1	121.4519	0.694	26	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.8910	0.000	1	118.8910	0.000	1	118.8910	0.000	1	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	118.3390	0.000	1	118.3390	0.000	1	118.3390	0.000	1	121.3360	1.377	29	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	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:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	122.0020	0.000	1	122.0020	0.000	1	121.6830	0.102	3	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	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:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	121.5235	0.227	2	121.5235	0.052	2	121.6830	0.102	3	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3: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]C)(N[5a]C[5a]H)(CC[5a]CH)	C(C[5a]C[5a]N[5a])2(CCHH)(H)	N[5a](C[5a]C[5a]C)2(H)	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)	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	122.4915	0.227	2	122.4915	0.052	2	122.4915	0.052	2	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[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)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.7940	0.000	1	120.7940	0.000	1	119.8768	1.189	6	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.5620	0.349	2	118.5620	0.122	2	119.8768	1.189	6	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.0280	0.000	1	121.0280	0.000	1	119.8768	1.189	6	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	120.3010	0.000	1	120.3010	0.000	1	119.8768	1.189	6	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]O)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	120.0140	0.000	1	120.0140	0.000	1	119.8768	1.189	6	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.6450	1.153	2	121.6450	1.328	2	122.3032	1.247	4	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.9615	0.824	2	122.9615	0.679	2	122.3032	1.247	4	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	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:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.5300	0.000	1	117.5300	0.000	1	117.7595	0.105	2	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	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:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.9890	0.000	1	117.9890	0.000	1	117.7595	0.105	2	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:1:	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:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.7555	0.175	2	117.7555	0.031	2	117.7555	0.031	2	120.3986	3.330	22	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	122.5950	0.000	1	122.5950	0.000	1	122.5950	0.000	1	120.6857	2.844	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	120.6857	2.844	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	120.0620	0.000	1	120.0620	0.000	1	120.0620	0.000	1	120.6857	2.844	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	119.5150	0.078	2	119.5150	0.006	2	119.5150	0.006	2	121.5456	2.941	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	121.9970	0.000	1	121.9970	0.000	1	121.8600	2.625	5	121.5456	2.941	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.1420	2.857	2	121.1420	8.161	2	121.8600	2.625	5	121.5456	2.941	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.9810	0.000	1	122.9810	0.000	1	121.8600	2.625	5	121.5456	2.941	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	122.0380	0.000	1	122.0380	0.000	1	121.8600	2.625	5	121.5456	2.941	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-3:C[5a]-3:S-4:	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	122.0190	0.000	1	122.0190	0.000	1	122.7900	1.189	2	121.5456	2.941	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-3:C[5a]-3:S-4:	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	123.5610	0.000	1	123.5610	0.000	1	122.7900	1.189	2	121.5456	2.941	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.4154	0.712	18	121.4154	0.507	18	121.4154	0.507	18	121.2391	1.226	21	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.5940	0.137	2	121.5940	0.019	2	121.5940	0.019	2	121.2391	1.226	21	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:2:	3:3:1:	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:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.3570	0.000	1	117.3570	0.000	1	117.3570	0.000	1	121.2391	1.226	21	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	122.2625	0.269	2	122.2625	0.073	2	121.5949	1.443	8	121.5949	1.443	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.3723	1.330	6	121.3723	1.769	6	121.5949	1.443	8	121.5949	1.443	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5,5a]-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[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	N[5a](C[5a]C[5,5a]C)2(H)	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	N[5a](C[5a]C[5,5a]C)2(H){2|S<2>}	120.6984	0.495	8	120.6984	0.245	8	120.6984	0.245	8	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.1555	0.132	2	120.8615	0.549	25	121.1987	0.914	37	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.7490	0.658	23	120.8615	0.549	25	121.1987	0.914	37	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.2830	0.239	2	122.2830	0.057	2	121.1987	0.914	37	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.1210	0.905	8	122.1210	0.819	8	121.1987	0.914	37	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	120.6400	1.147	2	120.6400	1.315	2	121.1987	0.914	37	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	120.0210	0.000	1	120.0210	0.000	1	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.5560	0.574	2	120.5560	0.330	2	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.5870	0.000	2	122.5870	0.000	2	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[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	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	122.1460	0.000	1	122.1460	0.000	1	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]2)(C[5a]C[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	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	122.1755	1.095	2	122.1755	1.200	2	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.4187	1.106	3	121.4187	1.224	3	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[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	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.0060	0.722	6	121.0060	0.522	6	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.7514	0.461	20	120.7514	0.212	20	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.5160	0.361	2	121.5160	0.130	2	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.2969	1.282	51	122.2969	1.645	51	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	121.6038	0.471	20	121.6038	0.222	20	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.4024	0.566	5	121.6963	1.131	23	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.5002	1.096	18	121.6963	1.131	23	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]2)(C[5a]C[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	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	122.9220	0.830	4	122.9220	0.689	4	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	124.5120	0.000	2	122.6777	2.068	6	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.7605	0.285	4	122.6777	2.068	6	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	120.9940	0.000	1	122.0865	0.963	328	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.9905	1.335	30	122.0865	0.963	328	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.0999	0.940	297	122.0865	0.963	328	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	120.3450	0.474	2	120.3450	0.224	2	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	121.0450	1.846	2	121.0450	3.406	2	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.6415	0.596	2	121.6415	0.355	2	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.8948	0.589	4	120.8948	0.347	4	121.9775	1.109	481	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.8970	0.122	2	122.8970	0.015	2	122.8970	0.015	2	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	119.7800	1.056	2	119.7800	1.116	2	119.7800	1.116	2	121.8990	1.156	530	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5,5a]-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[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	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	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	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	120.9146	2.060	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-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,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	121.2300	0.088	2	121.2300	0.008	2	121.2300	0.008	2	120.9146	2.060	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]2)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	122.0950	0.000	1	122.0950	0.000	1	120.8234	3.535	5	120.9146	2.060	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	121.4210	0.000	1	119.4665	7.640	2	120.8234	3.535	5	120.9146	2.060	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	117.5120	0.000	1	119.4665	7.640	2	120.8234	3.535	5	120.9146	2.060	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	121.8280	0.000	1	121.8280	0.000	1	120.8234	3.535	5	120.9146	2.060	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]S)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|O<2>,1|S<4>}	121.2610	0.000	1	121.2610	0.000	1	120.8234	3.535	5	120.9146	2.060	8	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6]-3:N[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,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH)	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2)	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	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2){1|H<1>,2|C<3>,2|C<4>}	125.5500	0.000	1	125.5500	0.000	1	125.5500	0.000	1	125.7055	0.048	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C){1|C<4>}	125.8610	0.000	1	125.8610	0.000	1	125.8610	0.000	1	125.7055	0.048	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<3>,1|H<1>}	123.4815	2.375	2	123.4815	5.641	2	124.1045	2.538	4	124.4609	1.499	7	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	125.1850	0.000	1	125.1850	0.000	1	124.1045	2.538	4	124.4609	1.499	7	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]S)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	124.2700	0.000	1	124.2700	0.000	1	124.1045	2.538	4	124.4609	1.499	7	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	124.6030	0.000	1	124.6030	0.000	1	124.6030	0.000	1	124.4609	1.499	7	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	124.9810	0.000	1	124.9810	0.000	1	125.1025	0.030	2	124.4609	1.499	7	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	125.2240	0.000	1	125.2240	0.000	1	125.1025	0.030	2	124.4609	1.499	7	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	118.0560	0.000	1	118.0560	0.000	1	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,2|N<2>}	118.5720	0.216	2	120.4487	1.027	15	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<4>,2|C<3>}	121.1660	0.000	1	120.4487	1.027	15	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|F<1>,2|C<3>}	119.8750	0.000	1	120.4487	1.027	15	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.7226	0.740	10	120.4487	1.027	15	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Cl<1>,1|C<4>,2|C<3>}	121.3200	0.000	1	120.4487	1.027	15	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.5240	0.000	1	117.5240	0.000	1	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.3040	0.018	2	120.3040	0.000	2	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5])(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|F<1>,2|C<3>}	119.5380	0.000	1	119.5380	0.000	1	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	123.5160	0.000	1	123.5160	0.000	1	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	121.9415	0.047	2	121.9415	0.002	2	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	119.5870	0.000	1	119.5870	0.000	1	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]P)(N[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|P<4>,2|C<3>}	118.8820	0.000	1	118.8820	0.000	1	120.3330	1.927	25	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]Br)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	122.3360	0.000	1	122.3360	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	117.4140	0.000	1	117.4140	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	119.9830	0.000	1	120.6464	0.208	5	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	120.8123	0.306	4	120.6464	0.208	5	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	121.8805	0.108	2	121.8805	0.012	2	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	120.4490	0.747	2	120.4490	0.558	2	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	121.7130	0.000	1	121.7130	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]2)(C[5a]C[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	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	120.7770	0.000	1	120.7770	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	122.4715	2.811	4	122.2118	6.264	5	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.1730	0.000	1	122.2118	6.264	5	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	123.4400	0.957	2	122.9793	1.095	3	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<4>,3|H<1>}	122.0580	0.000	1	122.9793	1.095	3	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.3176	0.900	8	122.3176	0.810	8	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	122.3593	1.134	4	122.3593	1.286	4	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[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	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	123.1180	0.000	1	123.1180	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]N[5a])(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	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	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	120.2540	0.000	1	120.2540	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	119.9200	0.000	1	119.9200	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	121.0510	0.332	2	121.0510	0.110	2	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	123.2430	0.331	2	123.2430	0.110	2	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]H)(N[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	122.8560	0.000	1	122.8560	0.000	1	121.7766	2.294	41	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	120.1005	0.077	2	120.1005	0.006	2	120.4880	0.510	4	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|O<1>,1|S<4>}	120.8755	0.961	2	120.8755	0.923	2	120.4880	0.510	4	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.0217	0.997	6	122.0217	0.994	6	121.8471	0.815	8	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.2620	0.000	1	121.2620	0.000	1	121.8471	0.815	8	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>}	121.3850	0.000	1	121.3850	0.000	1	121.8471	0.815	8	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.5477	0.973	7	121.5477	0.947	7	121.5786	1.621	11	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	120.0830	0.000	2	120.0830	0.000	2	121.5786	1.621	11	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	123.1825	0.950	2	123.1825	0.902	2	121.5786	1.621	11	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	122.4320	0.716	2	122.4320	0.512	2	122.4320	0.512	2	121.3265	2.235	92	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	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	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC)	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	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC){2|C<3>,2|C<4>}	124.7320	0.000	1	124.7320	0.000	1	124.7320	0.000	1	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6]-3:C[5a]-3:C-2:	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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC)	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	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,3|H<1>}	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	125.3140	0.000	1	125.3140	0.000	1	125.3140	0.000	1	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.1720	0.000	1	123.1720	0.000	1	123.1720	0.000	1	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	123.1855	0.265	2	123.1855	0.070	2	123.3452	0.066	4	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	123.6210	0.000	1	123.6210	0.000	1	123.3452	0.066	4	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|C<3>,2|H<1>}	123.3890	0.000	1	123.3890	0.000	1	123.3452	0.066	4	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	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	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	C(C[5a]C[5a]N[5a])(NZnCC)(H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	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	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	125.3010	0.000	1	125.3010	0.000	1	125.3010	0.000	1	123.4553	2.514	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,3|C<3>}	122.8290	0.000	1	122.8290	0.000	1	124.2737	0.932	6	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a,6a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	124.5626	0.734	5	124.5626	0.539	5	124.2737	0.932	6	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	126.8030	0.000	1	126.8030	0.000	1	126.8030	0.000	1	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	125.6060	0.000	1	125.6060	0.000	1	124.5665	2.161	2	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:3:	N[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](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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	123.5270	0.000	1	123.5270	0.000	1	124.5665	2.161	2	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	122.8040	0.000	1	122.8040	0.000	1	123.4855	0.929	2	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:3:	N[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](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	124.1670	0.000	1	124.1670	0.000	1	123.4855	0.929	2	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a]-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](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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	121.8310	0.000	1	121.8310	0.000	1	121.8310	0.000	1	124.0885	1.945	13	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[5,5a]-3:C[5a]-3:S-4:	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	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>,2|C<4>}	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.6630	0.000	1	121.6630	0.000	1	121.9025	0.674	4	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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])(CC[5a]CH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	122.5500	0.113	2	122.5500	0.013	2	121.9025	0.674	4	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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])(CClCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[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])(CClCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	120.8470	0.000	1	120.8470	0.000	1	121.9025	0.674	4	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	122.4473	0.354	3	122.4473	0.125	3	123.1914	3.054	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	124.0410	0.000	1	124.0410	0.000	1	123.1914	3.054	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	124.0725	1.268	2	124.0725	1.607	2	123.1914	3.054	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	119.6310	0.000	1	119.6310	0.000	1	123.1914	3.054	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	125.4530	0.000	1	125.4530	0.000	1	123.1914	3.054	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	124.1110	0.000	1	124.1110	0.000	1	123.1914	3.054	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	121.3690	0.000	1	121.3690	0.000	1	122.3649	2.421	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	123.2320	0.000	1	123.2320	0.000	1	122.3649	2.421	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)2(CCHH)	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	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	118.6730	0.000	1	118.6730	0.000	1	122.3649	2.421	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]O)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	122.6865	0.316	2	122.6865	0.100	2	122.3649	2.421	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>}	122.7860	0.000	1	122.7860	0.000	1	122.3649	2.421	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]H)(N[5a]C[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	123.2837	0.700	3	123.2837	0.490	3	122.3649	2.421	9	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCHH)	C(C[5a]C[5a]N[5a])(CCo2C)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co){2|H<1>}	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]Br)(N[5a]C[5a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	125.4310	0.000	1	125.4310	0.000	1	125.8190	0.301	2	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]S)(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	126.2070	0.000	1	126.2070	0.000	1	125.8190	0.301	2	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	124.9180	0.000	1	124.9180	0.000	1	124.9180	0.000	1	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO)	C(C[5a]C[5a]N[5a])(OCo3)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	124.3180	0.000	1	124.3180	0.000	1	124.3180	0.000	1	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:S-4:	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	N[5a](C[5a]C[5a]C)2(SCOO)	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	N[5a](C[5a]C[5a]C)2(SCOO){1|C<3>,1|H<1>}	127.6360	0.000	1	127.6360	0.000	1	127.6360	0.000	1	123.0094	3.866	30	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	Si[4]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]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	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	125.4230	0.000	1	123.5815	6.782	2	123.5815	6.782	2	123.5815	6.782	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:1:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:P-4:H-1:H-1:	Si[4]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]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	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	121.7400	0.000	1	123.5815	6.782	2	123.5815	6.782	2	123.5815	6.782	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:2:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2: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)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	121.5510	0.000	1	121.5510	0.000	1	121.5510	0.000	1	121.5510	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5a]F)(N[5a]N[5a]C)(CCHO)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|F<1>,1|H<1>}	125.3970	0.000	1	125.3970	0.000	1	124.0680	3.532	2	124.0680	3.532	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	122.7390	0.000	1	122.7390	0.000	1	124.0680	3.532	2	124.0680	3.532	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.2020	0.000	1	120.2020	0.000	1	120.2020	0.000	1	120.2020	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:2:1:	3:3:4:	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-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	122.8963	13.572	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:2:1:	3:3:4:	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-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	126.1880	0.000	1	126.1880	0.000	1	126.1880	0.000	1	122.8963	13.572	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O-4:O-2:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO)	C(C[5a]C[5a]N[5a])(OCo3)(OH)(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	122.8963	13.572	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CCH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.9820	0.369	2	120.9820	0.136	2	119.5273	1.926	6	120.4359	3.774	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.8825	1.675	2	118.8825	2.806	2	119.5273	1.926	6	120.4359	3.774	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[5])(N[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.7175	0.561	2	118.7175	0.314	2	119.5273	1.926	6	120.4359	3.774	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	124.1960	0.000	1	124.1960	0.000	1	122.6725	4.642	2	120.4359	3.774	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.1490	0.000	1	121.1490	0.000	1	122.6725	4.642	2	120.4359	3.774	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:3:1:	3:3:1:	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:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	120.4359	3.774	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:3:1:	3:3:3:	N[5a]-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](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	122.4340	0.000	1	122.4340	0.000	1	122.4340	0.000	1	121.3240	2.464	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,2|N<2>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	121.3240	2.464	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a,6a]C)(CCCH)	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	117.5870	0.653	2	117.5870	0.427	2	117.5870	0.427	2	117.5870	0.427	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-3:C-3:	C[5a,6a]-3:C[5a]-3:C-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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	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)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	124.2320	1.217	7	124.2320	1.480	7	124.1040	1.316	11	124.1040	1.316	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	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)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	123.8800	1.150	4	123.8800	1.322	4	124.1040	1.316	11	124.1040	1.316	11	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-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,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a,6a]C)2(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)	N[5a](C[5a]C[5a,6a]C)2(H){2|C<3>}	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|N<2>,3|C<3>}	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)2(H)	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)	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	121.2180	0.000	1	122.0980	1.549	2	122.5282	0.521	8	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C[6a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)2(H)	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)	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	122.9780	0.000	1	122.0980	1.549	2	122.5282	0.521	8	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	122.8700	0.000	1	122.8700	0.000	1	122.5282	0.521	8	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.7680	0.000	1	121.7680	0.000	1	122.5282	0.521	8	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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[6a]N[5a])(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	122.9667	0.478	3	122.9667	0.228	3	122.5282	0.521	8	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(H)	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(H){1|C<4>}	122.4920	0.000	1	122.4920	0.000	1	122.5282	0.521	8	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:	N[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)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(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)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	121.9630	1.966	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	120.3290	0.000	1	120.3290	0.000	1	120.3290	0.000	1	122.1331	0.629	15	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	121.6590	0.397	4	122.2619	0.409	14	122.2619	0.409	14	122.1331	0.629	15	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	122.5031	0.559	10	122.2619	0.409	14	122.2619	0.409	14	122.1331	0.629	15	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	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)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	121.0535	0.718	2	121.0535	0.515	2	121.0535	0.515	2	121.0535	0.515	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H)	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)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	119.7429	1.308	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.0105	1.623	2	120.1080	2.484	4	119.7377	1.533	7	119.7429	1.308	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	121.2055	0.019	2	120.1080	2.484	4	119.7377	1.533	7	119.7429	1.308	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.8700	0.000	1	118.8700	0.000	1	119.7377	1.533	7	119.7429	1.308	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	119.4310	0.508	2	119.4310	0.258	2	119.7377	1.533	7	119.7429	1.308	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]N[5a]C)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	119.7429	1.308	9	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[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]C[5a]C)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	121.9633	0.944	4	121.9633	0.891	4	122.4353	0.808	16	122.4353	0.808	16	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[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]C[5a]H)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	122.4166	0.691	8	122.7193	0.615	11	122.4353	0.808	16	122.4353	0.808	16	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[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]C[5a]H)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	123.2970	0.000	1	122.7193	0.615	11	122.4353	0.808	16	122.4353	0.808	16	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[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]C[5a]H)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	123.6410	0.212	2	122.7193	0.615	11	122.4353	0.808	16	122.4353	0.808	16	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[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]C[5a]N)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	121.2000	0.000	1	121.2000	0.000	1	122.4353	0.808	16	122.4353	0.808	16	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:B-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2){1|C<4>,1|H<1>}	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	127.0600	0.952	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	127.4525	0.493	4	127.4525	0.243	4	127.4525	0.243	4	127.0600	0.952	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	126.8591	3.997	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	124.9820	0.000	1	124.9820	0.000	1	127.0312	4.164	9	126.8591	3.997	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH){1|C<4>,1|H<1>}	125.4310	0.000	2	125.4310	0.000	2	127.0312	4.164	9	126.8591	3.997	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	127.1635	1.882	2	127.1635	3.540	2	127.0312	4.164	9	126.8591	3.997	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	128.2775	2.176	4	128.2775	4.734	4	127.0312	4.164	9	126.8591	3.997	10	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	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	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H)	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	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	122.2705	0.076	2	122.2705	0.006	2	122.2705	0.006	2	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(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)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.3530	0.000	1	118.1350	0.095	2	118.1350	0.095	2	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(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)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|S<4>,3|C<3>}	117.9170	0.000	1	118.1350	0.095	2	118.1350	0.095	2	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.1335	0.397	2	121.1335	0.157	2	121.0806	3.000	14	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<3>}	121.5760	0.000	1	121.9107	1.195	3	121.0806	3.000	14	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<4>}	122.0780	1.491	2	121.9107	1.195	3	121.0806	3.000	14	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[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	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.3200	0.000	1	123.3200	0.000	1	121.0806	3.000	14	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.8470	0.189	5	121.8470	0.036	5	121.0806	3.000	14	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]P)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<3>}	118.8300	0.000	1	118.1917	0.624	3	121.0806	3.000	14	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]P)(N[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)2(H)	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	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<4>}	117.8725	0.798	2	118.1917	0.624	3	121.0806	3.000	14	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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:N[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|O<1>}	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.0740	0.024	2	121.0740	0.001	2	122.1759	0.531	15	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.3410	0.721	2	121.3410	0.520	2	122.1759	0.531	15	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	122.6463	0.261	3	122.6463	0.068	3	122.1759	0.531	15	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.4838	0.467	8	122.4838	0.218	8	122.1759	0.531	15	121.4900	2.425	34	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a])	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	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>}	125.5195	0.329	2	125.5195	0.108	2	125.5195	0.108	2	125.5195	0.108	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:3:3:	N[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5a](Ge[5a]C[5,5a]Cr)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5a](Ge[5a]C[5,5a]Cr)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	128.9790	0.000	1	128.9790	0.000	1	128.7045	0.151	2	127.7717	2.686	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:3:3:	N[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5a](Ge[5a]C[5,5a]Mo)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Mo<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5a](Ge[5a]C[5,5a]Mo)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	128.4300	0.000	1	128.4300	0.000	1	128.7045	0.151	2	127.7717	2.686	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	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	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	125.9060	0.000	1	125.9060	0.000	1	125.9060	0.000	1	127.7717	2.686	3	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:4:	4:3:3:	N[5,5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C-4:C-4:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3)	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C(C[5a]N[5,5a]N[5a])(CH3)3	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>}	130.0900	0.000	1	130.0900	0.000	1	130.0900	0.000	1	130.0900	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	4:3:1:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:H-1:	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	122.7820	0.000	1	122.7820	0.000	1	122.7820	0.000	1	122.7820	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:3:4:	4:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3)	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	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:4:3:	3:3:3:1:	3:3:1:	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:H-1:	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)	N[5a](C[5a]C[5a]C)2(H)	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)	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	123.6780	0.057	2	123.6780	0.003	2	123.6780	0.003	2	123.6780	0.003	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:2:	3:3:4:	C-4:N[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)(N[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	124.1315	0.678	2	124.1315	0.460	2	124.1315	0.460	2	124.1315	0.460	2	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:3:	3:3:4:	C-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	119.8345	0.316	2	119.8345	0.100	2	119.8345	0.100	2	121.7621	4.226	55	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)2(H)	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)	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	121.4460	0.144	2	121.4460	0.021	2	121.8348	4.239	53	121.7621	4.226	55	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.5637	0.888	3	121.5637	0.788	3	121.8348	4.239	53	121.7621	4.226	55	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	122.4032	2.498	26	122.4032	6.241	26	121.8348	4.239	53	121.7621	4.226	55	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.6852	1.387	8	120.6852	1.924	8	121.8348	4.239	53	121.7621	4.226	55	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.5632	1.071	4	121.5632	1.147	4	121.8348	4.239	53	121.7621	4.226	55	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.5446	1.675	10	121.5446	2.805	10	121.8348	4.239	53	121.7621	4.226	55	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	121.5610	0.414	2	121.3770	0.206	4	122.0771	0.590	12	122.0771	0.590	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	121.1930	0.557	2	121.3770	0.206	4	122.0771	0.590	12	122.0771	0.590	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)2(CH3)	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)	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	122.4271	0.647	8	122.4271	0.419	8	122.0771	0.590	12	122.0771	0.590	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:3:	3:3:3:2:	3:2:4:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-2: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)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	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)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	123.5790	4.172	4	123.5790	17.409	4	123.5790	17.409	4	123.5790	17.409	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	121.7087	0.906	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.8800	0.000	1	121.8800	0.000	1	121.6661	0.972	11	121.7087	0.906	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.8960	0.484	6	121.6447	1.075	10	121.6661	0.972	11	121.7087	0.906	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.2678	1.587	4	121.6447	1.075	10	121.6661	0.972	11	121.7087	0.906	12	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	123.1420	0.000	1	123.1420	0.000	1	123.1420	0.000	1	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.5690	0.479	4	122.5690	0.230	4	122.5690	0.230	4	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	123.0990	0.000	1	123.0990	0.000	1	122.0660	0.990	156	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[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)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	118.5340	0.707	2	118.5340	0.500	2	122.0660	0.990	156	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.8631	0.559	10	121.8631	0.313	10	122.0660	0.990	156	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.4060	0.520	14	121.4060	0.271	14	122.0660	0.990	156	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.4418	0.494	12	122.2045	0.885	127	122.0660	0.990	156	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.1797	0.974	115	122.2045	0.885	127	122.0660	0.990	156	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.9215	0.209	2	121.9215	0.044	2	122.0660	0.990	156	122.0852	0.976	161	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	129.2370	2.439	4	129.2370	5.951	4	127.0005	15.624	6	127.0005	15.624	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.5275	0.491	2	122.5275	0.242	2	127.0005	15.624	6	127.0005	15.624	6	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)2(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)	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.1933	0.859	4	122.1933	0.738	4	122.1933	0.738	4	122.1933	0.738	4	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	121.5295	0.275	2	121.8235	0.141	4	122.0410	0.342	5	122.0410	0.342	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.1175	0.021	2	121.8235	0.141	4	122.0410	0.342	5	122.0410	0.342	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.9110	0.000	1	122.9110	0.000	1	122.0410	0.342	5	122.0410	0.342	5	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP2_SP3	C[5a]	C	N[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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(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)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	122.5102	3.352	3308	122.6076	3.083	3995
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[5,5a]	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:	N[5,5a]-3:C[5]-3:C[5a]-3:	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	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C)	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	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C){1|Cr<6>,1|O<1>,2|C<3>,2|H<1>}	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH)	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH){2|C<3>}	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	124.8920	0.802	2	124.8920	0.643	2	124.8920	0.643	2	124.8920	0.643	2	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	119.2505	0.978	2	119.4153	0.560	3	119.3093	0.457	7	119.3093	0.457	7	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	119.7450	0.000	1	119.4153	0.560	3	119.3093	0.457	7	119.3093	0.457	7	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	118.7605	0.763	2	118.7605	0.582	2	119.3093	0.457	7	119.3093	0.457	7	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	119.6990	0.314	2	119.6990	0.099	2	119.3093	0.457	7	119.3093	0.457	7	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	122.3040	0.000	2	122.3040	0.000	2	122.3040	0.000	2	121.6788	0.529	4	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)2(N[5]C[5]2)	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	N[5a](C[5a]C[5a]C)2(N[5]C[5]2){1|H<1>,2|C<3>,4|C<4>}	121.0535	0.148	2	121.0535	0.022	2	121.0535	0.022	2	121.6788	0.529	4	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	124.2770	0.000	1	124.2770	0.000	1	124.2770	0.000	1	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:F-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	123.3940	0.000	1	123.3940	0.000	1	123.3940	0.000	1	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	124.4120	0.000	1	123.3990	0.688	5	123.3990	0.688	5	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	123.0270	1.032	2	123.3990	0.688	5	123.3990	0.688	5	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	123.2645	0.588	2	123.3990	0.688	5	123.3990	0.688	5	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	120.5710	0.000	1	120.5710	0.000	1	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	118.8900	1.546	3	119.3165	2.320	4	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	120.5960	0.000	1	119.3165	2.320	4	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	120.8390	0.787	3	120.8390	0.620	3	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	121.5102	0.461	53	121.3079	0.422	78	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	120.8219	0.765	23	121.3079	0.422	78	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	121.5370	0.929	2	121.3079	0.422	78	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	120.8010	0.000	1	120.8010	0.000	1	121.1859	0.660	87	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	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	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	125.0300	0.000	1	125.0300	0.000	1	125.0300	0.000	1	121.3986	1.158	95	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	124.2300	0.000	1	124.2300	0.000	1	124.2300	0.000	1	124.5910	0.261	2	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	124.9520	0.000	1	124.9520	0.000	1	124.9520	0.000	1	124.5910	0.261	2	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	123.3940	0.000	1	123.3940	0.000	1	123.3940	0.000	1	123.1418	0.524	4	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	123.2190	0.000	1	123.2190	0.000	1	123.0577	0.744	3	123.1418	0.524	4	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	123.8280	0.000	1	123.8280	0.000	1	123.0577	0.744	3	123.1418	0.524	4	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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,6a]-3:C[5a]-3:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	122.1260	0.000	1	122.1260	0.000	1	123.0577	0.744	3	123.1418	0.524	4	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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	N[5a](C[5a]C[5a]C)2(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	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	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	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	121.7240	0.000	1	121.7240	0.000	1	121.7240	0.000	1	121.9750	0.126	2	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	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	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|O<2>,2|C<3>}	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	121.9750	0.126	2	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	123.2780	0.000	1	123.2780	0.000	1	123.3600	0.013	2	123.3600	0.013	2	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[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:S-4:	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	123.4420	0.000	1	123.4420	0.000	1	123.3600	0.013	2	123.3600	0.013	2	121.5154	1.802	122	121.5228	1.794	123
727	490	813	0:SP2_SP3_SP3	C[5a]	C	N[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:S-4:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	121.5154	1.802	122	121.5228	1.794	123