813	490	537	0:SP2_SP2_SP3	N[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(N[5a]C[5a]O[5a])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	114.7880	0.192	2	114.7880	0.037	2	114.7880	0.037	2	114.7880	0.037	2	114.9097	0.063	3	114.9097	0.063	3
813	490	537	0:SP2_SP2_SP3	N[5a]	C	O[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(N[5a]C[5a]O[5a])(CCH)(H)2	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	C(N[5a]C[5a]O[5a])(CCH)(H)2	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<4>}	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	114.9097	0.063	3	114.9097	0.063	3
813	490	537	0:SP3_SP2_SP3	N[5a]	C	O[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C(N[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]O[5a])(H)3	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<3>}	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	109.8850	1.354	3	109.8850	1.354	3
813	490	537	0:SP3_SP2_SP3	N[5a]	C	O[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>}	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	109.8850	1.354	3	109.8850	1.354	3
813	490	537	0:SP3_SP2_SP3	N[5a]	C	O[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	C(N[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]O[5a])(CH3)(H)2	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.8850	1.354	3	109.8850	1.354	3
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:1:1:	3:3:1:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a,6a]-3:N[5a]-3:Cl-1:	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl){1|C<4>,1|H<1>,2|C<3>}	118.3725	2.659	2	118.3725	7.073	2	118.3725	7.073	2	118.8930	2.735	4	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:1:1:	3:3:1:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:Br-1:	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(Br)	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(Br){2|C<3>}	119.4135	0.224	2	119.4135	0.050	2	119.4135	0.050	2	118.8930	2.735	4	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:1:1:	3:3:2:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:C-2:	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(CN)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(CN){2|C<3>}	121.1945	1.537	2	121.1945	2.361	2	121.1945	2.361	2	119.6595	1.156	10	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:1:1:	3:3:2:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-2:	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(OGe[5a])	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(OGe[5a]){2|C<3>}	119.3630	0.706	4	119.3630	0.499	4	119.3630	0.499	4	119.6595	1.156	10	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:1:1:	3:3:2:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:S-2:	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(SC[6a])	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(SC[6a]){2|C<3>}	118.8190	0.028	2	118.8190	0.001	2	118.8190	0.001	2	119.6595	1.156	10	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:1:1:	3:3:2:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:Se-2:	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(SeC[6a])	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	Ge[5a](N[5a]C[5a]C)2(SeC[6a]){2|C<3>}	119.5580	0.228	2	119.5580	0.052	2	119.5580	0.052	2	119.6595	1.156	10	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:4:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:N-3:	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH)	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	Ge[5a](N[5a]C[5a]C)2(NC[6a]2)	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	Ge[5a](N[5a]C[5a]C)2(NC[6a]2){2|C<3>}	121.0900	0.346	2	121.0900	0.120	2	121.0900	0.120	2	121.0900	0.120	2	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:4:4:	3:3:1:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:Cl-1:	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(Cl)	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(Cl){2|C<3>}	119.6980	0.812	2	119.6980	0.659	2	119.6980	0.659	2	119.6980	0.659	2	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:4:4:	3:3:2:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:C-2:	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(CC)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(CC){2|C<3>}	119.5975	0.532	4	119.5975	0.283	4	119.5975	0.283	4	119.5413	0.309	8	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:4:4:	3:3:2:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:O-2:	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(OGe[5a])	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(OGe[5a]){2|C<3>}	119.4850	0.656	4	119.4850	0.431	4	119.4850	0.431	4	119.5413	0.309	8	119.7283	1.210	28	119.7283	1.210	28
813	490	613	0:SP2_SP2_SP3	N[5a]	C	Ge[5a]	3:3:4:	3:4:4:4:	3:3:4:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:B-4:	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(BH3)	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	Ge[5a](N[5a]C[5a]C)2(BH3){2|C<3>}	121.1590	0.445	2	121.1590	0.198	2	121.1590	0.198	2	121.1590	0.198	2	119.7283	1.210	28	119.7283	1.210	28
813	490	651	0:SP3_SP2_SP3	N[5a]	C	Si[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:Si[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:Si-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	Si[5a](N[5a]C[5a,6a]C)2(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	Si[5a](N[5a]C[5a,6a]C)2(SiC3){2|C<3>}	123.9790	0.334	2	123.9790	0.111	2	123.9790	0.111	2	123.9790	0.111	2	123.9790	0.111	2	123.9790	0.111	2
813	490	679	0:SP2_SP3_SP3	N[5a]	C	B[5a]	4:3:4:	3:3:1:1:	3:2:1:1:	B[5a]-4:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	125.8790	0.000	1	125.8790	0.000	1	125.8790	0.000	1	125.1423	1.022	3	125.1848	4.707	10	125.1848	4.707	10
813	490	679	0:SP2_SP3_SP3	N[5a]	C	B[5a]	4:3:4:	3:3:1:1:	3:2:1:1:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	C(N[5a]B[5a]C[5a])(COO)(H)2	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	C(N[5a]B[5a]C[5a])(COO)(H)2	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	124.7740	1.109	2	124.7740	1.229	2	124.7740	1.229	2	125.1423	1.022	3	125.1848	4.707	10	125.1848	4.707	10
813	490	679	0:SP2_SP3_SP3	N[5a]	C	B[5a]	4:3:4:	3:4:1:1:	3:2:1:1:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH)	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH){1|C<3>}	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{1|C<3>,1|H<1>}	125.0335	1.518	2	125.0335	2.305	2	125.0335	2.305	2	125.0335	2.305	2	125.1848	4.707	10	125.1848	4.707	10
813	490	679	0:SP2_SP3_SP3	N[5a]	C	B[5a]	4:3:4:	3:4:3:1:	3:2:1:1:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	122.8280	3.260	2	122.8280	10.626	2	124.5660	14.375	3	124.5660	14.375	3	125.1848	4.707	10	125.1848	4.707	10
813	490	679	0:SP2_SP3_SP3	N[5a]	C	B[5a]	4:3:4:	3:4:3:1:	3:2:1:1:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	128.0420	0.000	1	128.0420	0.000	1	124.5660	14.375	3	124.5660	14.375	3	125.1848	4.707	10	125.1848	4.707	10
813	490	679	0:SP2_SP3_SP3	N[5a]	C	B[5a]	4:3:4:	3:4:4:1:	3:3:3:3:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH)	C(N[5a]B[5a]C[5a])(CH3)2(H)	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C)	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH){1|C<4>,1|N<2>,4|C<3>}	C(N[5a]B[5a]C[5a])(CH3)2(H)	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	127.9790	0.000	1	127.9790	0.000	1	127.9790	0.000	1	127.9790	0.000	1	125.1848	4.707	10	125.1848	4.707	10
813	490	679	0:SP2_SP3_SP3	N[5a]	C	B[5a]	4:3:4:	3:4:4:1:	3:3:4:3:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH)	C(N[5a]B[5a]C[5a])(CH3)2(H)	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH){1|H<1>,1|N<2>,5|C<4>}	C(N[5a]B[5a]C[5a])(CH3)2(H)	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	125.1848	4.707	10	125.1848	4.707	10
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3)	C(N[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	C(N[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|N<2>,4|H<1>}	128.7910	0.000	1	128.7910	0.000	1	128.7910	0.000	1	128.7910	0.000	1	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3)	C(N[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3){1|H<1>,4|C<4>}	C(N[5a]C[5,5a]N[5a])(H)3	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C){2|C<4>,6|H<1>}	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:N[5a]-3:S[5]-2:	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a]C)(S[5]C[5])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5,5a]C[5a])(H)3	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a]C)(S[5]C[5]){1|C<3>,3|H<1>}	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	124.6980	11.064	2	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:S[5]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(S[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	127.0500	0.000	1	127.0500	0.000	1	127.0500	0.000	1	124.6980	11.064	2	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|B<3>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	128.0180	0.000	1	128.0180	0.000	1	127.5708	0.707	9	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,4|C<3>}	126.1000	0.000	1	126.1000	0.000	1	127.5708	0.707	9	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	127.7503	0.271	3	127.7170	0.524	7	127.5708	0.707	9	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	127.6920	0.999	4	127.7170	0.524	7	127.5708	0.707	9	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|H<1>,2|C<3>}	121.1495	0.202	2	121.1495	0.041	2	121.1495	0.041	2	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,5|C<3>}	129.2060	0.454	2	129.2060	0.206	2	129.2060	0.206	2	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|I<1>,4|C<3>}	127.1680	0.622	2	127.1680	0.387	2	126.6836	0.753	5	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H){4|C<3>}	125.2550	0.000	1	125.2550	0.000	1	126.6836	0.753	5	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	126.9135	0.100	2	126.9135	0.010	2	126.6836	0.753	5	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S){3|C<3>,3|H<1>}	129.2810	0.000	1	129.2810	0.000	1	129.2810	0.000	1	126.9235	5.313	19	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH){1|H<1>,5|C<3>}	126.5120	0.000	1	126.5120	0.000	1	126.7998	1.364	4	126.7998	1.364	4	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>}	125.9620	0.000	1	126.0840	0.030	2	126.7998	1.364	4	126.7998	1.364	4	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){6|C<3>}	126.2060	0.000	1	126.0840	0.030	2	126.7998	1.364	4	126.7998	1.364	4	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<4>,3|C<3>}	128.5190	0.000	1	128.5190	0.000	1	126.7998	1.364	4	126.7998	1.364	4	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	126.3630	0.000	1	126.3630	0.000	1	127.1256	0.246	5	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C){3|H<1>,4|C<3>}	126.9420	0.000	1	126.9420	0.000	1	127.1256	0.246	5	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,6|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	127.2250	0.000	1	127.2250	0.000	1	127.1256	0.246	5	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	127.5490	0.000	2	127.5490	0.000	2	127.1256	0.246	5	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	126.9120	0.000	1	126.9120	0.000	1	126.9120	0.000	1	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	125.5140	0.000	1	126.3175	1.291	2	126.6653	1.009	3	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,3|C<3>,3|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	127.1210	0.000	1	126.3175	1.291	2	126.6653	1.009	3	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,6|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	127.3610	0.000	1	127.3610	0.000	1	126.6653	1.009	3	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:P[5]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(P[5]C[5,5a]C[6a]O)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3){1|H<1>,1|O<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(P[5]C[5,5a]C[6a]O)(N[5a]C[5a,6a]C){1|N<3>,5|C<3>}	125.9465	0.398	2	125.9465	0.158	2	125.9465	0.158	2	126.7663	0.520	11	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]S[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]S[5]){1|N<2>,2|C<3>}	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,4|C<3>}	127.5965	0.144	2	127.5965	0.021	2	127.5965	0.021	2	127.3270	1.902	5	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	128.8660	0.000	1	128.8660	0.000	1	128.8660	0.000	1	127.3270	1.902	5	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O){4|C<3>}	127.4950	0.000	1	127.4950	0.000	1	126.2880	2.914	2	127.3270	1.902	5	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	125.0810	0.000	1	125.0810	0.000	1	126.2880	2.914	2	127.3270	1.902	5	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	127.2260	0.000	1	127.2260	0.000	1	127.2260	0.000	1	127.2260	0.000	1	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3)	C(N[5a]C[5,5a]C[5a])(CH3)3	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C(N[5a]C[5,5a]C[5a])(CH3)3	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N){1|C<3>,1|N<3>,2|H<1>}	122.5390	0.000	1	122.5390	0.000	1	122.5390	0.000	1	122.5390	0.000	1	126.7689	3.726	46	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<2>,1|C<4>}	128.9460	0.000	1	130.1325	2.202	4	130.1325	2.202	4	130.1325	2.202	4	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<3>,1|C<4>}	130.5280	1.538	3	130.1325	2.202	4	130.1325	2.202	4	130.1325	2.202	4	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,1|O<1>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O){1|N<3>}	129.5585	0.740	2	129.5585	0.548	2	129.5585	0.548	2	130.2914	0.942	14	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3){3|C<3>}	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C){1|H<1>,3|C<3>}	129.2300	1.032	2	129.2300	1.066	2	129.2300	1.066	2	130.2914	0.942	14	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	130.4588	0.583	9	130.4588	0.340	9	130.4588	0.340	9	130.2914	0.942	14	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<2>,3|C<3>}	C(N[5a]C[5a,5a]N[5a])(H)3	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C){1|H<1>,3|C<3>}	132.3730	0.000	1	132.3730	0.000	1	132.3730	0.000	1	130.2914	0.942	14	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	129.7090	0.000	1	129.7090	0.000	1	129.7090	0.000	1	129.7090	0.000	1	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	129.1190	0.000	1	129.1190	0.000	1	129.1190	0.000	1	129.1190	0.000	1	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3)	C(N[5a]C[5a,5a]N[5a])(NOO)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3){1|N<2>,3|N<3>}	C(N[5a]C[5a,5a]N[5a])(NOO)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	129.8710	0.000	1	129.8710	0.000	1	129.8710	0.000	1	129.8710	0.000	1	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH){2|C<3>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	131.2160	0.000	1	131.2160	0.000	1	131.2160	0.000	1	131.2160	0.000	1	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,3|C<3>}	126.5130	0.000	1	126.6186	0.533	5	126.6186	0.533	5	126.2669	0.813	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	126.6450	0.840	4	126.6186	0.533	5	126.6186	0.533	5	126.2669	0.813	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(N[5a]C[5a]C)(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(N[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>}	124.8480	0.000	1	125.3875	0.582	2	125.3875	0.582	2	126.2669	0.813	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(N[5a]C[5a]C)(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]B[5a]C[5a])(N[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|N<3>}	125.9270	0.000	1	125.3875	0.582	2	125.3875	0.582	2	126.2669	0.813	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	126.2170	0.348	2	126.2170	0.121	2	126.2170	0.121	2	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	121.4405	0.293	2	121.4405	0.086	2	121.4405	0.086	2	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C){1|C<2>,5|C<3>}	128.6440	0.000	1	128.6440	0.000	1	128.6440	0.000	1	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a]C[5a,6a]C[5a])(N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](C[5a]C[5a,6a]C[5a])(N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<2>,1|N<3>,4|C<3>}	125.9310	1.174	2	125.9310	1.378	2	125.9310	1.378	2	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C){6|C<3>}	128.8270	0.000	1	128.8270	0.000	1	128.8270	0.000	1	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>}	128.2813	0.562	3	128.2813	0.315	3	129.1705	3.572	6	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	127.2080	0.000	1	127.2080	0.000	1	129.1705	3.572	6	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	131.4855	0.535	2	131.4855	0.287	2	129.1705	3.572	6	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){1|Cl<1>,2|N<2>,3|H<1>}	128.1040	0.000	1	128.1040	0.000	1	128.1040	0.000	1	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(N[5a]C[5a]C){2|C<3>,2|H<1>}	128.0590	0.000	1	128.0590	0.000	1	128.0590	0.000	1	127.2396	8.033	16	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a,5a]-3:N[5a]-2:N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){4|C<3>}	129.5580	0.000	1	129.5580	0.000	1	129.5580	0.000	1	126.7857	1.863	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|S<4>,4|C<3>}	126.4060	0.000	1	126.4060	0.000	1	126.4060	0.000	1	126.7857	1.863	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	127.0100	0.000	1	127.0100	0.000	1	127.0100	0.000	1	126.7857	1.863	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,3|C<3>}	126.7740	0.000	1	126.7740	0.000	1	126.7740	0.000	1	126.7857	1.863	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	126.3145	0.299	2	126.3145	0.089	2	126.3145	0.089	2	126.7857	1.863	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){4|C<3>}	125.1230	0.000	1	125.1230	0.000	1	125.1230	0.000	1	126.7857	1.863	7	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a,5a]-3:B[5a]-4:N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(B[5a]N[5a,5a]CC)(N[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(B[5a]N[5a,5a]CC)(N[5a]C[5a]C){2|C<3>,2|H<1>}	125.3220	0.000	1	125.3220	0.000	1	125.3220	0.000	1	125.3220	0.000	1	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Br<1>,1|N<2>,1|S<2>}	127.3660	0.024	2	127.2139	0.800	16	127.2139	0.800	16	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	126.9739	1.013	8	127.2139	0.800	16	127.2139	0.800	16	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|H<1>,1|N<2>,1|S<2>}	127.5128	0.543	4	127.2139	0.800	16	127.2139	0.800	16	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	127.4240	1.725	2	127.2139	0.800	16	127.2139	0.800	16	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	125.6410	0.000	1	125.6410	0.000	1	125.6410	0.000	1	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|N<3>,3|C<3>}	126.7640	0.000	1	126.7640	0.000	1	126.7640	0.000	1	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a]){1|N<3>,3|C<3>}	123.5410	0.000	1	123.5410	0.000	1	123.5410	0.000	1	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH){1|C<3>,1|S<2>}	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a]){2|O<1>}	126.1500	0.000	1	126.1500	0.000	1	126.1500	0.000	1	126.8759	1.422	20	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C){1|C<4>,1|S<2>,3|C<3>}	128.1502	1.756	4	128.1502	3.084	4	127.7650	3.055	5	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C(N[5a]C[5a,5a]2)(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,2|C<3>,3|S<2>}	C(N[5a]C[5a,5a]2)(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C){1|S<2>,3|C<3>}	126.2240	0.000	1	126.2240	0.000	1	127.7650	3.055	5	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	128.5030	0.000	1	128.5030	0.000	1	126.5740	6.004	3	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH){2|S<2>,4|C<3>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	125.6095	2.535	2	125.6095	6.426	2	126.5740	6.004	3	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	123.4540	0.955	4	123.4540	0.911	4	124.0940	2.731	5	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C(N[5a]C[5a,5a]2)(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,2|C<3>,3|S<2>}	C(N[5a]C[5a,5a]2)(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	126.6540	0.000	1	126.6540	0.000	1	124.0940	2.731	5	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH){1|O<1>,1|S<1>,4|S<2>}	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O){1|C<3>,1|S<2>}	122.5765	0.298	2	122.5765	0.089	2	122.5765	0.089	2	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	127.3190	0.000	1	127.3190	0.000	1	127.3190	0.000	1	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	119.1560	0.000	1	119.1560	0.000	1	122.9335	28.539	2	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|S<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){3|C<3>}	126.7110	0.000	1	126.7110	0.000	1	122.9335	28.539	2	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	124.1570	0.000	1	124.1570	0.000	1	124.1570	0.000	1	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){1|C<4>,4|C<3>}	128.9568	1.101	6	128.9568	1.212	6	128.9568	1.212	6	126.2102	8.471	25	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CC3)	C(N[5a]C[5a,5a]2)(CH3)3	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CC3){2|C<3>,2|S<2>}	C(N[5a]C[5a,5a]2)(CH3)3	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	127.5234	3.616	8	127.5234	13.073	8	127.5234	13.073	8	127.5234	13.073	8	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|N<2>}	127.1660	0.000	1	127.1660	0.000	1	127.1660	0.000	1	127.1660	0.000	1	127.4211	6.730	108	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6,6]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6]-3:C[4x6]-4:N[5a]-3:	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6,6]C[5a,6a])(H)3	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6,6]C[5a,6a])(H)3	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C){1|H<1>,3|C<3>,5|C<4>}	127.1990	0.000	1	127.1990	0.000	1	127.1990	0.000	1	127.1990	0.000	1	127.8650	0.887	2	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[5a,6,6]-3:N[5a]-3:	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6]C[5a])(H)3	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3){1|N<3>,4|C<4>}	C(N[5a]C[5a,6,6]C[5a])(H)3	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	128.5310	0.000	1	128.5310	0.000	1	128.5310	0.000	1	128.5310	0.000	1	127.8650	0.887	2	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,3|H<1>,6|C<3>}	126.8370	0.000	1	127.3686	0.488	7	127.0939	0.541	10	127.0939	0.541	10	127.0939	0.541	10	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,4|H<1>,5|C<3>}	127.1280	0.000	1	127.3686	0.488	7	127.0939	0.541	10	127.0939	0.541	10	127.0939	0.541	10	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,8|C<3>}	127.8150	0.783	2	127.3686	0.488	7	127.0939	0.541	10	127.0939	0.541	10	127.0939	0.541	10	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	127.7815	0.579	2	127.3686	0.488	7	127.0939	0.541	10	127.0939	0.541	10	127.0939	0.541	10	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|N<2>,2|H<1>,6|C<3>}	126.4220	0.000	1	127.3686	0.488	7	127.0939	0.541	10	127.0939	0.541	10	127.0939	0.541	10	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,6|C<3>}	126.2960	0.000	1	126.2960	0.000	1	127.0939	0.541	10	127.0939	0.541	10	127.0939	0.541	10	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	126.5315	0.380	2	126.5315	0.144	2	127.0939	0.541	10	127.0939	0.541	10	127.0939	0.541	10	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<3>,1|S<2>,2|C<2>}	127.7160	0.000	1	127.7160	0.000	1	127.5080	0.087	2	127.3283	0.140	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<2>,1|C<4>,1|S<2>}	127.3000	0.000	1	127.3000	0.000	1	127.5080	0.087	2	127.3283	0.140	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3){1|N<2>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>}	126.9690	0.000	1	126.9690	0.000	1	126.9690	0.000	1	127.3283	0.140	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3){1|C<4>,4|C<3>}	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	129.8270	0.000	1	129.8270	0.000	1	129.8270	0.000	1	129.8270	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3){2|H<1>,3|C<4>}	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C){1|C<3>,4|C<4>,4|H<1>}	128.1370	0.000	1	128.1370	0.000	1	128.1370	0.000	1	128.1370	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	127.6280	0.000	1	127.6280	0.000	1	129.1482	0.592	6	129.2414	0.554	7	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>}	129.4522	0.216	5	129.4522	0.047	5	129.1482	0.592	6	129.2414	0.554	7	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6]){2|C<3>,2|H<1>}	129.8010	0.000	1	129.8010	0.000	1	129.8010	0.000	1	129.2414	0.554	7	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I){1|C<3>,1|S<2>,2|H<1>}	132.2200	0.000	1	132.2200	0.000	1	132.2200	0.000	1	132.5745	0.251	2	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a,6]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	132.9290	0.000	1	132.9290	0.000	1	132.9290	0.000	1	132.5745	0.251	2	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	128.2500	0.000	1	128.2500	0.000	1	128.2500	0.000	1	128.0480	0.082	2	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	127.8460	0.000	1	127.8460	0.000	1	127.8460	0.000	1	128.0480	0.082	2	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:3:1:1:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[3,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<4>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C){1|C<4>,1|O<2>,5|H<1>}	131.4370	0.000	1	131.4370	0.000	1	131.4370	0.000	1	131.4370	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|S<2>,2|H<1>,2|N<3>}	128.3380	0.000	1	128.3380	0.000	1	127.9705	0.270	2	127.9705	0.270	2	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	127.6030	0.000	1	127.6030	0.000	1	127.9705	0.270	2	127.9705	0.270	2	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C){1|H<1>,5|C<3>}	126.7330	0.000	1	126.7330	0.000	1	126.5645	0.057	2	128.2523	3.891	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C){1|H<1>,5|C<3>}	126.3960	0.000	1	126.3960	0.000	1	126.5645	0.057	2	128.2523	3.891	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H){1|H<1>,2|C<3>,2|C<4>}	129.6070	0.000	1	129.6070	0.000	1	129.6070	0.000	1	128.2523	3.891	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C){1|O<1>,2|C<3>}	130.2730	0.000	1	130.2730	0.000	1	130.2730	0.000	1	128.2523	3.891	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:4:1:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	126.4270	0.000	1	126.4270	0.000	1	126.4270	0.000	1	126.4270	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:2:4:	3:4:4:4:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3)	C(N[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(CH3)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	129.8880	0.000	1	129.8880	0.000	1	129.8880	0.000	1	129.8880	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,3|N<3>}	124.7300	0.000	1	125.8605	2.556	2	125.8605	2.556	2	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	126.9910	0.000	1	125.8605	2.556	2	125.8605	2.556	2	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	125.4490	0.000	1	125.4490	0.000	1	126.1605	1.012	2	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|N<2>,4|C<3>}	126.8720	0.000	1	126.8720	0.000	1	126.1605	1.012	2	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	126.4870	0.000	1	126.4870	0.000	1	126.1832	0.236	6	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	126.8230	0.000	1	126.8230	0.000	1	126.1832	0.236	6	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	126.4320	0.000	1	125.9472	0.152	4	126.1832	0.236	6	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	126.0750	0.000	1	125.9472	0.152	4	126.1832	0.236	6	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	125.5500	0.000	1	125.9472	0.152	4	126.1832	0.236	6	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	125.7320	0.000	1	125.9472	0.152	4	126.1832	0.236	6	126.1141	0.546	10	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C){1|C<4>,5|C<3>}	128.7880	0.000	1	128.7880	0.000	1	128.7880	0.000	1	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|N<3>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	129.3990	0.000	1	129.3990	0.000	1	129.3990	0.000	1	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	125.9800	0.000	1	125.9800	0.000	1	127.2963	1.209	8	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	128.5970	0.000	1	128.5970	0.000	1	127.2963	1.209	8	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	126.7143	0.886	3	126.7143	0.785	3	127.2963	1.209	8	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,2|N<2>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,2|H<1>}	128.7460	0.000	1	128.7460	0.000	1	127.2963	1.209	8	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	127.8420	0.000	1	127.4520	0.304	2	127.2963	1.209	8	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|Pt<4>,1|C<3>,2|H<1>}	127.0620	0.000	1	127.4520	0.304	2	127.2963	1.209	8	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	125.7410	0.000	1	125.7410	0.000	1	126.6315	1.586	2	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	127.5220	0.000	1	127.5220	0.000	1	126.6315	1.586	2	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|Rh<6>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	127.2930	0.000	1	127.2930	0.000	1	128.4352	0.716	4	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	128.3990	0.000	1	128.8160	0.204	3	128.4352	0.716	4	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	128.7540	0.000	1	128.8160	0.204	3	128.4352	0.716	4	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|I<1>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	129.2950	0.000	1	128.8160	0.204	3	128.4352	0.716	4	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|Pd<4>,2|C<3>,2|H<1>}	126.4470	0.000	1	126.4470	0.000	1	125.9333	3.828	4	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	124.5265	1.405	2	124.5265	1.974	2	125.9333	3.828	4	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<2>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C){2|H<1>,3|C<3>}	128.2330	0.000	1	128.2330	0.000	1	125.9333	3.828	4	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	126.8950	0.000	1	126.8950	0.000	1	126.8950	0.000	1	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	127.7270	0.000	1	127.7270	0.000	1	127.0896	0.901	10	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	125.9640	0.451	2	125.9640	0.204	2	127.0896	0.901	10	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	127.6290	0.693	2	127.6290	0.480	2	127.0896	0.901	10	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	127.3610	0.000	1	127.3610	0.000	1	127.0896	0.901	10	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H){5|C<3>}	125.7900	0.000	1	125.7900	0.000	1	127.0896	0.901	10	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	127.8050	1.049	2	127.8050	1.101	2	127.0896	0.901	10	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	127.2220	0.000	1	127.2220	0.000	1	127.0896	0.901	10	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3){1|B<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S){1|F<1>,1|N<3>,1|O<2>,2|C<3>}	127.5900	0.000	1	127.5900	0.000	1	127.5900	0.000	1	127.2711	1.697	32	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){2|C<4>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	125.2380	0.000	1	125.2380	0.000	1	125.4633	0.038	3	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	125.5760	0.008	2	125.5760	0.000	2	125.4633	0.038	3	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	125.6200	0.000	1	125.6200	0.000	1	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	126.6450	0.000	1	126.6450	0.000	1	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH){1|H<1>,2|C<4>,3|C<3>}	127.3405	2.048	2	127.3405	4.196	2	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,5|C<3>}	126.8970	0.000	1	126.8970	0.000	1	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	126.7085	1.036	2	126.8430	0.626	4	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,2|H<1>,4|C<3>}	127.5830	0.000	1	126.8430	0.626	4	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.3720	0.000	1	126.8430	0.626	4	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	126.3520	0.000	1	125.9917	1.126	6	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	126.3680	0.000	1	125.9917	1.126	6	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	123.9700	0.000	1	125.9917	1.126	6	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	126.2250	0.000	1	125.9917	1.126	6	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	127.0930	0.000	1	125.9917	1.126	6	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	125.9420	0.000	1	125.9917	1.126	6	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	127.4295	0.651	2	127.3394	0.231	5	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	127.3210	0.000	1	127.3394	0.231	5	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|O<2>,2|C<4>,3|C<3>}	126.7730	0.000	1	127.3394	0.231	5	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	127.7440	0.000	1	127.3394	0.231	5	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	126.4073	0.257	3	126.3500	0.057	4	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	126.1780	0.000	1	126.3500	0.057	4	126.6359	0.885	24	126.5056	0.927	27	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	128.0510	0.000	1	128.0510	0.000	1	128.0510	0.000	1	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<3>,4|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){2|C<4>,3|H<1>,5|C<3>}	128.9960	0.000	1	128.8550	0.040	2	127.3740	1.220	10	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	128.7140	0.000	1	128.8550	0.040	2	127.3740	1.220	10	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	127.0324	0.950	7	127.0324	0.902	7	127.3740	1.220	10	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	126.8030	0.000	1	126.8030	0.000	1	127.3740	1.220	10	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	127.6950	0.000	1	127.6950	0.000	1	127.2508	0.590	5	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	128.0590	0.000	1	127.3963	0.662	3	127.2508	0.590	5	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,6|C<3>}	127.6420	0.000	1	127.3963	0.662	3	127.2508	0.590	5	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	126.4880	0.000	1	127.3963	0.662	3	127.2508	0.590	5	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	126.3700	0.000	1	126.3700	0.000	1	127.2508	0.590	5	127.3778	0.925	16	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,6|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|O<1>,6|C<3>}	126.5750	0.000	1	126.5750	0.000	1	126.5750	0.000	1	127.5631	0.954	9	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	126.8727	0.522	3	126.8727	0.272	3	126.8727	0.272	3	127.5631	0.954	9	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	128.0740	0.000	1	128.0740	0.000	1	128.1750	0.702	5	127.5631	0.954	9	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	128.3740	1.103	3	128.2002	0.932	4	128.1750	0.702	5	127.5631	0.954	9	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	127.6790	0.000	1	128.2002	0.932	4	128.1750	0.702	5	127.5631	0.954	9	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	C(N[5a]C[5a,6]C[5a])(OC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(OC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	127.4040	0.000	1	127.4040	0.000	1	127.4040	0.000	1	127.4040	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:2:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	125.4950	0.000	1	125.4950	0.000	1	125.4950	0.000	1	125.4950	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,5|C<3>}	129.4140	0.000	1	129.4140	0.000	1	129.4140	0.000	1	129.7532	0.384	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|C<5>,1|H<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.1660	0.000	1	130.1660	0.000	1	129.8380	0.464	4	129.7532	0.384	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	130.1450	0.455	2	130.1450	0.207	2	129.8380	0.464	4	129.7532	0.384	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	128.8960	0.000	1	128.8960	0.000	1	129.8380	0.464	4	129.7532	0.384	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(COO)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(COO)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	126.4170	0.000	1	126.4170	0.000	1	126.4170	0.000	1	125.3728	0.669	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	125.6180	0.000	1	125.6180	0.000	1	125.6180	0.000	1	125.3728	0.669	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	125.6780	0.000	1	125.6780	0.000	1	125.6780	0.000	1	125.3728	0.669	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	124.2930	0.000	1	124.2930	0.000	1	124.2930	0.000	1	125.3728	0.669	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,5|C<3>}	124.8580	0.000	1	124.8580	0.000	1	124.8580	0.000	1	125.3728	0.669	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<3>,2|N<2>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	126.7930	0.000	1	126.7930	0.000	1	126.7930	0.000	1	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O){1|C<3>,1|N<3>,2|H<1>}	131.5370	0.000	1	131.5370	0.000	1	131.5370	0.000	1	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH){1|Ru<8>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Ru<8>,1|N<3>,2|H<1>,3|C<3>}	126.4920	0.000	1	126.4920	0.000	1	126.4920	0.000	1	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	123.5160	0.000	1	123.5160	0.000	1	123.5160	0.000	1	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cu)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cu){1|C<3>,4|H<1>}	127.9270	0.488	2	127.9270	0.238	2	127.7808	0.464	6	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	127.2190	0.728	2	127.7078	0.673	4	127.7808	0.464	6	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	128.1965	0.730	2	127.7078	0.673	4	127.7808	0.464	6	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	127.8745	0.705	2	127.8745	0.497	2	127.8745	0.497	2	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O){1|O<1>,4|C<3>}	128.9410	0.000	1	128.9410	0.000	1	129.0875	0.043	2	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	129.2340	0.000	1	129.2340	0.000	1	129.0875	0.043	2	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S){1|C<4>,2|H<1>,3|C<3>}	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	127.7956	2.948	15	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH){2|C<4>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	126.4710	0.000	1	126.4710	0.000	1	126.5650	4.387	3	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	124.5190	0.000	1	124.5190	0.000	1	126.5650	4.387	3	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,5|H<1>}	128.7050	0.000	1	128.7050	0.000	1	126.5650	4.387	3	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|N<3>,2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|O<1>,3|C<3>}	128.8920	0.000	1	128.8920	0.000	1	127.3800	4.572	2	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	125.8680	0.000	1	125.8680	0.000	1	127.3800	4.572	2	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.3580	0.000	1	123.7550	0.315	2	126.3265	8.586	6	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	124.1520	0.000	1	123.7550	0.315	2	126.3265	8.586	6	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	124.5450	0.000	1	124.5450	0.000	1	126.3265	8.586	6	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	126.0440	0.000	1	126.0440	0.000	1	126.3265	8.586	6	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	129.9300	0.409	2	129.9300	0.167	2	126.3265	8.586	6	126.5831	5.794	11	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	124.6190	0.000	1	124.6190	0.000	1	127.7440	8.085	3	126.9085	8.183	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	129.3065	1.234	2	129.3065	1.523	2	127.7440	8.085	3	126.9085	8.183	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|H<1>,4|C<4>}	124.4020	0.000	1	124.4020	0.000	1	124.4020	0.000	1	126.9085	8.183	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	127.8670	0.000	1	127.6423	0.948	3	127.6423	0.948	3	127.6423	0.948	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	127.5300	1.349	2	127.6423	0.948	3	127.6423	0.948	3	127.6423	0.948	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:2:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-3:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	129.8390	0.000	1	129.8390	0.000	1	129.8390	0.000	1	129.8390	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	125.7300	0.303	2	125.7927	0.058	3	125.7927	0.058	3	125.7927	0.058	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	125.9180	0.000	1	125.7927	0.058	3	125.7927	0.058	3	125.7927	0.058	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:3:3:	4:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	128.6580	0.000	1	128.6580	0.000	1	128.6580	0.000	1	128.6580	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	127.2610	0.442	6	127.2610	0.195	6	127.2610	0.195	6	127.2610	0.195	6	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	125.9617	0.704	6	125.9617	0.496	6	125.7022	0.507	11	125.4688	1.143	13	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	125.0527	0.470	3	125.0527	0.221	3	125.7022	0.507	11	125.4688	1.143	13	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	125.8980	0.638	2	125.8980	0.407	2	125.7022	0.507	11	125.4688	1.143	13	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]){2|H<1>,3|C<3>}	125.7270	0.000	1	125.7270	0.000	1	125.7270	0.000	1	125.4688	1.143	13	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]C[6,6a]){1|C<4>,4|C<3>}	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	125.4688	1.143	13	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH){1|O<1>,1|S<1>,4|S<2>}	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S){1|C<3>,1|C<4>,1|S<2>}	129.1605	0.650	2	129.1605	0.422	2	129.1605	0.422	2	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	126.8095	0.196	2	126.8095	0.038	2	126.9277	0.061	3	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	127.1640	0.000	1	127.1640	0.000	1	126.9277	0.061	3	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH)	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	125.7480	0.000	1	125.7480	0.000	1	125.7480	0.000	1	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH){1|Pt<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	129.1291	1.319	8	129.1291	1.739	8	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd){1|H<1>,1|N<2>,2|N<3>}	128.2940	0.000	1	128.2940	0.000	1	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pt<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|N<2>,1|N<3>,2|H<1>}	129.0330	0.000	1	129.0330	0.000	1	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cd)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Cd<6>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cd){1|N<2>,1|N<3>,2|H<1>}	129.1865	0.172	2	129.1865	0.030	2	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Co)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Co<5>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Co){1|N<2>,1|N<3>,2|H<1>}	126.8280	0.000	1	126.8280	0.000	1	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd){1|H<1>,1|N<2>,2|N<3>}	127.1315	0.668	2	127.1315	0.447	2	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Rh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Rh<6>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Rh){1|N<2>,1|N<3>,2|H<1>}	130.9360	0.000	1	130.9360	0.000	1	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Ir)(CCHH)	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Ir)(CCHH){2|C<3>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	128.4430	0.000	1	128.4430	0.000	1	128.7766	1.766	17	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H){1|C<4>,4|C<3>}	125.1150	1.857	2	125.1150	3.448	2	125.1150	3.448	2	128.1714	2.902	25	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	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>}	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,5|C<4>}	125.2790	0.000	1	125.2790	0.000	1	125.2583	5.234	4	125.5272	4.287	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	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>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	123.2950	0.000	1	123.2950	0.000	1	125.2583	5.234	4	125.5272	4.287	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH){1|O<2>,3|H<1>,4|C<4>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){3|H<1>,4|C<4>}	123.9980	0.000	1	123.9980	0.000	1	125.2583	5.234	4	125.5272	4.287	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH){2|H<1>,3|C<4>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	128.4610	0.000	1	128.4610	0.000	1	125.2583	5.234	4	125.5272	4.287	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	126.6030	0.000	1	126.6030	0.000	1	126.6030	0.000	1	125.5272	4.287	5	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|C<3>,6|H<1>}	126.5045	0.834	4	126.5045	0.696	4	126.5045	0.696	4	126.5045	0.696	4	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:2:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	126.4400	0.000	1	126.4400	0.000	1	126.4400	0.000	1	126.4400	0.000	1	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>}	129.2290	0.000	1	127.2900	4.324	3	127.2900	4.324	3	127.2900	4.324	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|H<1>,1|O<2>,2|N<3>}	126.3205	1.735	2	127.2900	4.324	3	127.2900	4.324	3	127.2900	4.324	3	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6]C[5a])(CH3)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(CH3)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	127.1650	0.400	2	127.1650	0.160	2	127.1650	0.160	2	127.1650	0.160	2	127.2707	2.957	228	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a,6a]C[5a])(H)3	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a,6a]C[5a])(H)3	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|N<3>,2|H<1>,6|C<3>}	127.0120	0.000	1	127.0120	0.000	1	127.5245	0.525	2	127.5245	0.525	2	127.5245	0.525	2	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a,6a]C[5a])(H)3	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a,6a]C[5a])(H)3	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	128.0370	0.000	1	128.0370	0.000	1	127.5245	0.525	2	127.5245	0.525	2	127.5245	0.525	2	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C){1|C<4>,3|C<3>}	128.2600	0.000	1	128.2600	0.000	1	128.0900	0.058	2	128.0900	0.058	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C){1|C<3>,1|C<4>,1|S<2>}	127.9200	0.000	1	127.9200	0.000	1	128.0900	0.058	2	128.0900	0.058	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	128.3700	0.092	2	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	127.8225	0.053	2	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	128.1090	0.000	1	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	128.1290	0.000	1	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	128.0840	0.000	1	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	127.6950	0.000	1	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	128.3650	0.516	2	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|S<2>,3|C<3>}	127.8200	0.000	1	128.0865	0.096	11	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	128.0755	0.322	2	127.9743	0.082	3	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	127.7720	0.000	1	127.9743	0.082	3	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	128.2580	0.000	1	128.2580	0.000	1	128.0755	0.085	15	128.0755	0.085	15	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.7400	0.000	1	129.7400	0.000	1	129.7400	0.000	1	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	128.5950	0.000	1	128.5950	0.000	1	128.5950	0.000	1	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,5|C<3>}	129.0140	0.000	1	129.0140	0.000	1	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	130.2725	0.155	2	130.2725	0.024	2	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	128.6980	0.000	1	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	128.4115	0.610	2	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	127.6220	0.000	1	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	128.1410	0.556	5	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	127.4370	0.000	1	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	128.0900	0.000	1	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	127.5445	0.837	2	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	127.5784	0.693	7	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	128.2005	0.008	2	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	126.7930	0.000	1	127.8568	0.423	23	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C){1|C<3>,3|H<1>}	130.6790	0.585	2	130.6790	0.343	2	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C){2|C<3>,2|H<1>}	130.3040	0.000	1	130.3040	0.000	1	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	128.8900	0.225	2	128.8900	0.051	2	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	129.0520	0.000	1	129.4045	0.249	2	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,1|N<2>}	129.7570	0.000	1	129.4045	0.249	2	128.4399	1.269	33	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	131.6690	0.000	1	131.6690	0.000	1	131.6690	0.000	1	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	130.2490	0.059	2	130.2490	0.004	2	130.2490	0.004	2	128.6584	1.554	38	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	129.4250	0.000	1	129.0775	0.242	2	129.1640	0.073	5	129.2283	0.117	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	128.7300	0.000	1	129.0775	0.242	2	129.1640	0.073	5	129.2283	0.117	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.2900	0.000	1	129.2900	0.000	1	129.1640	0.073	5	129.2283	0.117	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.1875	0.134	2	129.1875	0.018	2	129.1640	0.073	5	129.2283	0.117	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	128.8130	0.000	1	128.8130	0.000	1	129.1140	0.181	2	129.2283	0.117	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.4150	0.000	1	129.4150	0.000	1	129.1140	0.181	2	129.2283	0.117	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS)	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.7780	0.000	1	129.7780	0.000	1	129.7780	0.000	1	129.2283	0.117	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>}	127.2710	0.000	1	127.3752	0.350	6	127.3752	0.350	6	128.0946	1.164	14	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	127.3960	0.659	5	127.3752	0.350	6	127.3752	0.350	6	128.0946	1.164	14	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|O<1>,2|N<3>}	127.2040	0.000	1	127.2040	0.000	1	127.2040	0.000	1	128.0946	1.164	14	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	128.6310	0.000	1	128.2243	0.326	4	128.8386	0.934	7	128.0946	1.164	14	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	128.2750	0.000	1	128.2243	0.326	4	128.8386	0.934	7	128.0946	1.164	14	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	127.9955	0.839	2	128.2243	0.326	4	128.8386	0.934	7	128.0946	1.164	14	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>}	129.6577	0.743	3	129.6577	0.552	3	128.8386	0.934	7	128.0946	1.164	14	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:As[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	115.8320	0.000	1	115.8320	0.000	1	115.8320	0.000	1	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	128.4670	0.844	2	128.3312	0.156	10	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	128.7215	0.233	2	128.3312	0.156	10	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	128.2920	0.000	1	128.3312	0.156	10	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	127.9010	0.000	1	128.3312	0.156	10	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	128.1925	0.056	2	128.3312	0.156	10	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	128.1785	0.134	2	128.3312	0.156	10	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,2|H<1>}	129.3530	0.000	1	129.3530	0.000	1	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.9450	1.038	2	129.9450	1.078	2	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.6918	0.826	4	129.6918	0.682	4	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.4520	0.000	1	129.4520	0.000	1	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.5648	1.146	4	129.5648	1.314	4	129.0470	0.866	22	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.8570	0.000	1	129.8570	0.000	1	129.4555	0.322	2	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.0540	0.000	1	129.0540	0.000	1	129.4555	0.322	2	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C){1|S<2>,2|C<3>,2|H<1>}	129.7990	0.733	2	129.7990	0.537	2	129.7990	0.537	2	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	127.4980	0.000	1	127.9142	0.514	20	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	127.8864	0.731	16	127.9142	0.514	20	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	128.2010	0.810	3	127.9142	0.514	20	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<2>,1|C<4>,3|C<3>}	131.4160	0.000	1	131.4160	0.000	1	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	129.2565	0.489	2	129.2565	0.239	2	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	129.7810	0.000	1	129.7810	0.000	1	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	128.9742	0.558	10	129.0680	0.377	11	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	130.0060	0.000	1	129.0680	0.377	11	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.8665	0.971	2	129.8665	0.943	2	128.5804	1.108	37	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	133.0960	0.000	1	133.0960	0.000	1	133.0960	0.000	1	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C){2|H<1>,3|C<3>}	130.1490	0.000	1	130.1490	0.000	1	130.1490	0.000	1	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.6910	0.000	1	130.6910	0.000	1	129.9870	0.537	5	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.3945	0.405	2	130.3945	0.164	2	129.9870	0.537	5	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.2560	0.000	1	129.2560	0.000	1	129.9870	0.537	5	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.1990	0.000	1	129.1990	0.000	1	129.9870	0.537	5	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.1165	2.179	2	130.1165	4.746	2	130.0900	1.090	24	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	131.1041	0.588	8	131.1041	0.346	8	130.0900	1.090	24	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.5449	0.597	12	129.5449	0.356	12	130.0900	1.090	24	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.2770	0.928	2	129.2770	0.861	2	130.0900	1.090	24	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.7360	0.000	1	129.7360	0.000	1	129.7360	0.000	1	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH)	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.8740	0.000	1	130.8740	0.000	1	130.8740	0.000	1	129.1422	3.348	97	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	130.8120	0.000	1	130.1250	0.213	5	130.1250	0.213	5	130.1250	0.213	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.9532	0.295	4	130.1250	0.213	5	130.1250	0.213	5	130.1250	0.213	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	126.6770	0.000	1	126.6770	0.000	1	126.6770	0.000	1	130.0320	7.532	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	128.9130	0.000	1	128.9130	0.000	1	128.9130	0.000	1	130.0320	7.532	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	132.2690	0.280	2	132.2690	0.078	2	132.2690	0.078	2	130.0320	7.532	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	132.0875	0.272	6	132.0875	0.074	6	132.0875	0.074	6	132.0875	0.074	6	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:4:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:P-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	126.2400	0.000	1	126.2400	0.000	1	126.2400	0.000	1	126.2400	0.000	1	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	126.6555	1.295	2	126.6555	1.676	2	126.8160	1.521	4	126.8160	1.521	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	125.7970	0.000	1	125.7970	0.000	1	126.8160	1.521	4	126.8160	1.521	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	128.1560	0.000	1	128.1560	0.000	1	126.8160	1.521	4	126.8160	1.521	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	128.4555	0.986	4	127.8725	0.603	22	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>}	127.2980	0.264	2	127.8725	0.603	22	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	127.7318	0.870	5	127.8725	0.603	22	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	127.8289	0.672	11	127.8725	0.603	22	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	128.2440	0.000	1	128.2440	0.000	1	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>}	126.8370	0.000	1	127.5714	1.187	5	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<4>}	126.7110	0.000	1	127.5714	1.187	5	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	128.3730	1.478	2	127.5714	1.187	5	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	127.5630	0.000	1	127.5714	1.187	5	127.8320	0.665	28	127.8320	0.665	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	128.3323	1.059	3	128.3323	1.121	3	128.5180	0.885	4	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	129.0750	0.000	1	129.0750	0.000	1	128.5180	0.885	4	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	128.2300	0.000	1	127.7050	0.551	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	127.1800	0.000	1	127.7050	0.551	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	128.4940	0.000	1	128.4940	0.000	1	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	128.7290	0.000	1	128.3060	0.358	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	127.8830	0.000	1	128.3060	0.358	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	128.6040	0.000	1	128.6040	0.000	1	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	128.9325	0.923	2	128.9325	0.852	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	131.3900	0.000	1	131.3900	0.000	1	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	128.6830	0.000	1	128.6830	0.000	1	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.9095	0.322	2	129.9095	0.104	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	128.7730	0.091	2	128.7730	0.008	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.3502	1.119	13	129.3502	1.251	13	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.3055	0.617	31	130.3055	0.381	31	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.0380	0.000	1	129.0380	0.000	1	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.1490	0.041	2	130.1490	0.002	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.6005	0.739	4	129.6005	0.546	4	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.3550	0.000	1	130.3550	0.000	1	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.3490	0.018	2	129.3490	0.000	2	129.7388	0.981	68	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	129.8130	0.000	1	129.8130	0.000	1	129.8130	0.000	1	129.6729	1.028	73	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	128.2210	0.000	1	128.2210	0.000	1	128.0317	0.045	3	128.8688	2.833	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	127.9370	0.192	2	127.9370	0.037	2	128.0317	0.045	3	128.8688	2.833	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	131.3800	0.000	1	131.3800	0.000	1	131.3800	0.000	1	128.8688	2.833	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]N[5a])(CH3)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	130.6500	0.000	1	130.6500	0.000	1	130.6500	0.000	1	130.6500	0.000	1	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	123.1610	0.000	1	123.1610	0.000	1	123.7043	1.319	4	123.7043	1.319	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	123.8360	0.000	1	123.2060	0.794	2	123.7043	1.319	4	123.7043	1.319	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	122.5760	0.000	1	123.2060	0.794	2	123.7043	1.319	4	123.7043	1.319	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	125.2440	0.000	1	125.2440	0.000	1	123.7043	1.319	4	123.7043	1.319	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	124.9950	0.000	1	124.9950	0.000	1	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|O<2>,4|C<3>}	125.7760	0.000	1	125.7760	0.000	1	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){1|N<3>,4|C<3>}	125.1230	0.188	2	125.1230	0.035	2	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){5|C<3>}	125.5560	0.000	1	125.5560	0.000	1	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	125.1430	0.000	1	125.1430	0.000	1	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){4|C<3>}	126.2320	0.000	1	126.2320	0.000	1	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	125.9360	0.000	1	125.6525	0.434	6	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){4|C<3>}	125.5958	0.720	5	125.6525	0.434	6	125.5279	0.301	13	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	123.8380	0.000	1	123.8010	0.003	2	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	123.7640	0.000	1	123.8010	0.003	2	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	125.2630	0.000	1	125.0363	0.245	3	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	125.3770	0.000	1	125.0363	0.245	3	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	124.4690	0.000	1	125.0363	0.245	3	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	124.1753	0.448	3	124.1753	0.201	3	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	126.1110	0.000	1	126.5411	0.390	9	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	127.1050	0.636	2	126.5411	0.390	9	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	126.4500	0.000	1	126.5411	0.390	9	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.2850	0.694	4	126.5411	0.390	9	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	126.9590	0.000	1	126.5411	0.390	9	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.5210	0.144	2	126.3537	0.094	3	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	126.0190	0.000	1	126.3537	0.094	3	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pt)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pt)(CH3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	124.7170	0.000	1	124.7170	0.000	1	125.6136	1.408	21	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	124.0930	0.000	1	124.0930	0.000	1	124.0930	0.000	1	125.5383	1.000	35	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	129.9715	0.745	2	129.9715	0.554	2	129.9715	0.554	2	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|B<3>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	124.1010	0.000	1	124.5621	0.666	9	124.5621	0.666	9	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.0520	0.000	1	124.5621	0.666	9	124.5621	0.666	9	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	124.4151	0.676	7	124.5621	0.666	9	124.5621	0.666	9	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	130.3680	0.117	2	130.3680	0.014	2	130.3680	0.014	2	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	127.0925	0.842	2	127.0925	0.709	2	126.1836	0.965	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.2770	0.946	2	125.2770	0.895	2	126.1836	0.965	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	126.4464	0.798	5	126.4464	0.636	5	126.1836	0.965	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.5245	0.996	2	125.5245	0.993	2	126.1836	0.965	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6,6]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6,6]C[5a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.4340	0.000	1	125.4340	0.000	1	125.4340	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.3660	0.000	1	123.3660	0.000	1	123.3660	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	121.4840	0.444	2	121.4840	0.197	2	121.5052	0.623	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3)	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,2|H<1>}	121.3160	0.000	1	121.3160	0.000	1	121.5052	0.623	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	122.1670	0.099	2	122.1670	0.010	2	121.5052	0.623	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3)	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	121.2355	0.411	2	121.2355	0.169	2	121.5052	0.623	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3)	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	120.2985	0.329	2	120.2985	0.108	2	121.5052	0.623	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3)	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,2|H<1>}	122.4355	0.216	2	122.4355	0.047	2	121.5052	0.623	11	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	122.9935	0.162	2	122.9935	0.026	2	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.0810	0.000	1	125.5664	0.296	5	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.0310	0.000	2	125.5664	0.296	5	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,6|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.1550	0.000	1	125.5664	0.296	5	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.5340	0.000	1	125.5664	0.296	5	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.4950	0.000	1	125.4950	0.000	1	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.6325	0.672	2	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.4020	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.8595	0.384	2	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.6370	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,3|C<3>,3|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.2240	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,6|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.7440	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.1750	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.4810	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.8030	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	123.5130	0.000	1	125.8302	0.895	12	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.9920	0.000	1	123.9920	0.000	1	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3){1|H<1>,1|O<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	126.7440	0.123	2	126.7440	0.015	2	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3)	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(H)3	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.2980	0.000	1	126.2980	0.000	1	125.5440	1.345	24	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.7670	0.000	1	123.7670	0.000	1	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.2957	0.918	3	125.2957	0.843	3	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.6240	0.000	1	123.9188	0.454	6	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.9778	0.736	5	123.9188	0.454	6	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.6470	0.000	1	124.6029	1.019	10	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<3>,4|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.5620	0.000	1	124.6029	1.019	10	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.3490	0.000	1	124.6029	1.019	10	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.8980	0.000	1	124.6029	1.019	10	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.9288	0.569	6	124.6029	1.019	10	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	128.3640	0.000	1	128.3640	0.000	1	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.2420	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.5900	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.6532	0.534	4	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.3242	0.797	4	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.7175	0.736	2	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.8170	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.3980	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.1485	0.142	2	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6565	0.473	2	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.7990	1.014	2	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.3380	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.0330	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	124.3750	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.9895	0.214	2	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.8870	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.2670	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.3632	0.561	5	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.5033	0.824	3	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.7440	0.000	1	124.7375	1.475	36	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.9950	0.580	2	125.9950	0.336	2	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3){1|B<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.8900	0.000	1	122.8900	0.000	1	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	127.1660	0.000	1	127.1895	0.001	2	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	127.2130	0.000	1	127.1895	0.001	2	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.2490	0.000	1	125.7568	0.258	6	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	125.4090	0.000	1	125.7568	0.258	6	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	125.7208	0.555	4	125.7568	0.258	6	124.8810	1.628	68	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[4,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	126.0400	0.000	1	126.0400	0.000	1	126.0400	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	128.0690	0.000	1	128.0690	0.000	1	128.0690	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	129.1250	0.631	2	128.4547	1.547	3	127.8444	1.443	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|S<2>,6|C<3>}	127.1140	0.000	1	128.4547	1.547	3	127.8444	1.443	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	127.0050	0.000	1	126.7610	0.119	2	127.8444	1.443	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	126.5170	0.000	1	126.7610	0.119	2	127.8444	1.443	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	128.0125	1.387	2	128.0125	1.923	2	127.8444	1.443	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	128.6670	0.000	1	128.6670	0.000	1	128.4640	0.148	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	128.8360	0.000	1	128.8360	0.000	1	128.4640	0.148	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	128.5180	0.000	1	128.5180	0.000	1	128.4640	0.148	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	128.5470	0.000	1	128.3067	0.202	4	128.4640	0.148	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<2>,5|C<3>}	128.4740	0.402	2	128.3067	0.202	4	128.4640	0.148	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	127.7320	0.000	1	128.3067	0.202	4	128.4640	0.148	7	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	125.8580	0.000	1	125.8580	0.000	1	127.4602	1.480	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|O<2>,4|C<3>}	126.6640	0.000	1	126.6640	0.000	1	127.4602	1.480	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	128.2660	0.000	1	128.2660	0.000	1	127.4602	1.480	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	127.6230	0.000	1	127.6230	0.000	1	127.4602	1.480	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	128.8900	0.000	1	128.8900	0.000	1	127.4602	1.480	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	129.3670	0.000	1	129.3670	0.000	1	129.3670	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.6640	0.000	1	125.6640	0.000	1	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.1360	0.000	1	124.1360	0.000	1	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5296	0.548	7	122.5296	0.300	7	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9060	0.448	2	121.9426	1.901	7	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3572	1.431	5	121.9426	1.901	7	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	126.2620	0.611	7	125.5231	3.168	15	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	126.0677	0.387	6	125.5231	3.168	15	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.3030	0.379	2	125.5231	3.168	15	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	128.5217	0.210	4	128.3900	0.120	5	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,6|C<3>}	127.8630	0.000	1	128.3900	0.120	5	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	125.9090	0.983	5	125.9090	0.965	5	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|N<3>,4|C<3>}	128.5120	0.602	2	128.5120	0.363	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	126.9060	0.000	1	126.9060	0.000	1	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.5260	0.000	1	124.9260	0.320	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	125.3260	0.000	1	124.9260	0.320	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	129.4000	0.000	1	128.7460	0.321	3	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	128.4190	0.000	2	128.7460	0.321	3	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.5950	1.467	2	125.5950	2.151	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	128.8500	0.623	4	128.2750	1.129	11	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	126.5070	0.000	1	128.2750	1.129	11	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	127.9565	1.162	4	128.2750	1.129	11	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|O<2>,6|C<3>}	127.9600	0.000	1	128.2750	1.129	11	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){7|C<3>}	129.3320	0.000	1	128.2750	1.129	11	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|B<3>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B){1|H<1>,4|C<3>}	128.0680	0.000	1	128.0680	0.000	1	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	127.8090	0.000	1	127.6880	0.713	5	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){5|C<3>}	128.3330	0.000	1	127.6880	0.713	5	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	126.2780	0.000	1	127.6880	0.713	5	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	128.0100	0.474	2	127.6880	0.713	5	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|B<3>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4230	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.8850	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8530	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3723	0.384	6	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.8980	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.3423	0.254	3	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.7577	0.922	3	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.1290	0.638	3	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.3090	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	122.7780	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5155	0.780	19	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9715	0.084	2	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.0780	0.358	3	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	125.0185	0.161	2	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	124.8195	0.071	2	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	124.9864	1.612	5	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.7422	0.513	9	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>}	125.8230	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,4|C<3>}	125.6480	0.000	1	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	125.6800	0.933	2	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.5935	0.731	66	124.7017	2.476	133	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|C<2>,4|C<3>}	128.0810	0.000	1	128.1580	0.012	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){5|C<3>}	128.2350	0.000	1	128.1580	0.012	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	126.5740	0.000	1	126.2475	0.213	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	125.9210	0.000	1	126.2475	0.213	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	128.2010	0.000	1	128.2010	0.000	1	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	127.5095	0.750	2	127.5095	0.563	2	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	127.3543	0.885	3	127.3543	0.784	3	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){6|C<3>}	128.9270	0.000	1	128.9270	0.000	1	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	124.1570	0.000	1	124.1570	0.000	1	125.2427	4.228	213	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,6|C<3>}	131.4030	0.276	2	131.4030	0.076	2	131.4030	0.076	2	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6a]-3:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	125.5565	0.005	2	125.5565	0.000	2	125.5565	0.000	2	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	124.4850	0.000	1	124.4850	0.000	1	125.5523	0.943	3	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	126.0860	0.420	2	126.0860	0.176	2	125.5523	0.943	3	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	129.2520	0.000	1	129.2520	0.000	1	129.2520	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	126.6295	0.909	2	126.6295	0.826	2	127.3168	1.989	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	129.6840	0.000	1	129.6840	0.000	1	127.3168	1.989	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|Ir<9>,1|C<4>,1|H<1>,4|C<3>}	126.8205	0.302	2	126.8205	0.091	2	127.3168	1.989	5	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.0575	0.004	2	123.9276	0.066	5	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	124.2110	0.000	1	123.9276	0.066	5	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	123.6560	0.042	2	123.9276	0.066	5	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	123.6705	0.326	2	122.9910	1.438	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	121.6320	0.000	1	122.9910	1.438	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	125.8637	0.115	3	125.8637	0.013	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<2>,2|H<1>}	125.5285	0.474	2	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	126.5045	0.105	2	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	124.6751	0.702	20	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.0901	0.734	8	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|I<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|I<1>,2|H<1>}	125.5830	0.000	1	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	124.3252	0.398	6	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	123.1610	0.808	6	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	123.5180	0.000	1	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|C<4>}	123.6653	1.115	3	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	126.0500	0.000	1	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	122.8600	0.000	1	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.4537	0.914	19	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	122.9980	0.772	4	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	124.9240	0.679	2	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	124.3275	0.827	6	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	123.8970	0.000	1	124.3438	0.987	83	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	125.4650	0.269	2	125.4650	0.072	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	123.5100	0.000	1	123.5100	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	124.9620	0.000	1	124.7760	0.069	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){3|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	124.5900	0.000	1	124.7760	0.069	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.9760	0.000	1	125.9760	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	124.7930	0.000	1	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.8850	0.842	4	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	122.8475	0.086	2	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	122.8882	0.458	5	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|F<1>,1|H<1>,3|C<3>}	124.0380	0.000	1	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	125.6430	0.000	1	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	123.7509	0.616	7	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|N<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	123.1480	0.803	2	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	123.4610	0.163	2	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	124.0954	0.744	5	123.6700	0.676	30	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	128.6920	0.000	1	128.6920	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|B<3>,3|C<3>,3|H<1>}	128.4440	0.000	1	128.4440	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	129.0760	0.027	2	129.0760	0.001	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	124.5545	1.088	2	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,2|H<1>}	126.2750	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	126.1070	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	125.1600	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.0680	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.2430	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	125.8183	0.690	88	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	125.4239	0.517	11	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	125.0665	0.025	2	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	125.6590	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	126.7240	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,3|H<1>}	124.6470	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	126.0840	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	125.3060	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	125.1190	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	126.2930	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	125.2666	0.634	69	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.5605	0.456	2	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	125.3140	0.000	1	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	125.7096	0.415	7	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	125.1620	0.267	2	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	125.8224	0.494	5	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	126.3315	0.006	2	125.5739	0.476	203	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|Se<2>,2|C<3>,2|H<1>}	127.4590	0.778	2	127.4590	0.605	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,2|C<3>,2|H<1>}	123.7497	0.876	3	123.7497	0.767	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	127.8665	0.159	2	127.4371	0.458	7	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	127.1895	0.835	4	127.4371	0.458	7	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	127.5690	0.000	1	127.4371	0.458	7	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	126.0415	0.043	2	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	125.4260	0.124	2	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.1750	0.000	1	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.6240	0.000	1	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	121.7870	0.448	2	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.3460	0.000	1	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	125.2465	0.162	2	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	125.1255	0.258	2	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	125.1550	0.596	7	124.8242	2.012	20	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	125.7820	0.000	1	125.7820	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.6150	0.000	1	124.2457	0.455	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.0610	0.840	2	124.2457	0.455	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|C<3>,1|O<1>,1|S<2>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	125.5690	0.000	1	125.5690	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	125.4160	0.000	1	125.4160	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.4930	0.000	1	126.4930	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	123.0150	0.485	2	123.2947	0.352	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,3|H<1>}	123.8540	0.000	1	123.2947	0.352	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Rh<8>,2|C<3>,2|H<1>}	122.8610	0.000	1	122.8610	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	124.6200	0.972	3	124.6200	0.945	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	123.0251	0.382	7	123.0251	0.146	7	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.2820	0.664	6	124.0519	1.316	24	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,2|C<3>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.8425	0.310	2	124.0519	1.316	24	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	123.8375	0.203	2	124.0519	1.316	24	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.4424	1.303	14	124.0519	1.316	24	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	125.2157	0.294	3	125.2157	0.087	3	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	124.7252	1.045	9	124.7265	0.795	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	124.7750	0.000	1	124.7265	0.795	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.7080	0.014	2	124.7265	0.795	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	127.7860	0.000	1	127.7860	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	125.5430	0.000	1	125.5430	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	124.6370	0.000	1	124.6370	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.5140	1.591	2	124.8107	1.767	6	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.4590	0.648	4	124.8107	1.767	6	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	126.6940	0.785	2	126.6940	0.616	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	126.4283	0.857	3	126.5733	0.502	8	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.3905	1.186	2	126.5733	0.502	8	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	126.8400	0.384	3	126.5733	0.502	8	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	128.2310	0.791	2	128.2310	0.625	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	127.1650	0.000	1	127.6222	2.118	115	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	126.8023	0.583	13	127.6222	2.118	115	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	127.7293	1.514	100	127.6222	2.118	115	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	128.0290	0.000	1	127.6222	2.118	115	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	125.9510	0.000	1	125.1235	1.370	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	124.2960	0.000	1	125.1235	1.370	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|F<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	126.8910	0.454	2	126.8910	0.206	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	124.7195	0.063	2	125.8948	0.413	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	125.8570	0.267	2	125.8948	0.413	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	126.7620	0.000	1	125.8948	0.413	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|C<4>}	125.6920	0.000	1	125.8948	0.413	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	126.1300	0.000	1	125.8948	0.413	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	126.2170	0.358	4	125.8948	0.413	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	126.1320	0.000	1	125.8948	0.413	12	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	127.1795	0.629	2	127.1795	0.395	2	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,2|H<1>}	125.8320	0.000	1	125.8320	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	126.5240	0.000	1	126.5240	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Se<2>,1|C<3>,2|H<1>}	124.3790	0.793	6	124.3790	0.629	6	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	125.9050	0.000	1	125.9050	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	123.2370	0.000	1	123.2370	0.000	1	125.5723	2.709	593	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	127.6250	0.000	1	127.6250	0.000	1	127.6250	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	124.4820	0.000	1	124.4820	0.000	1	127.8635	5.033	6	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	129.2190	0.000	2	128.6375	3.751	4	127.8635	5.033	6	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<4>,3|C<3>,3|H<1>}	125.8310	0.000	1	128.6375	3.751	4	127.8635	5.033	6	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	130.2810	0.000	1	128.6375	3.751	4	127.8635	5.033	6	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	128.1490	0.000	1	128.1490	0.000	1	127.8635	5.033	6	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	125.1180	0.000	1	125.1180	0.000	1	125.1180	0.000	1	125.5138	3.394	978	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|O<2>,3|H<1>,5|C<3>}	126.0450	0.000	1	126.0450	0.000	1	126.0143	0.701	12	126.0143	0.701	12	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|Cl<1>,2|H<1>,5|C<3>}	126.2770	0.000	1	126.2770	0.000	1	126.0143	0.701	12	126.0143	0.701	12	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|B<3>,2|H<1>,5|C<3>}	125.6860	0.000	1	125.6110	0.011	2	126.0143	0.701	12	126.0143	0.701	12	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|P<3>,2|H<1>,5|C<3>}	125.5360	0.000	1	125.6110	0.011	2	126.0143	0.701	12	126.0143	0.701	12	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	125.8869	0.933	7	125.8869	0.870	7	126.0143	0.701	12	126.0143	0.701	12	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|P<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){3|H<1>,5|C<3>}	127.4190	0.000	1	127.4190	0.000	1	126.0143	0.701	12	126.0143	0.701	12	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO){1|C<3>,1|C<4>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	127.0845	0.349	2	127.0845	0.122	2	127.0845	0.122	2	127.0845	0.122	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	126.5530	0.000	1	126.3670	0.138	3	126.1652	0.177	5	126.5526	1.837	13	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	125.9400	0.000	1	126.3670	0.138	3	126.1652	0.177	5	126.5526	1.837	13	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	126.6080	0.000	1	126.3670	0.138	3	126.1652	0.177	5	126.5526	1.837	13	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.1150	0.000	1	125.8625	0.128	2	126.1652	0.177	5	126.5526	1.837	13	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	125.6100	0.000	1	125.8625	0.128	2	126.1652	0.177	5	126.5526	1.837	13	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	126.6323	1.952	6	126.6323	3.809	6	126.7947	2.874	8	126.5526	1.837	13	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	127.2820	0.662	2	127.2820	0.438	2	126.7947	2.874	8	126.5526	1.837	13	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9340	0.000	1	121.6082	0.360	4	122.2952	2.629	5	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.4997	0.685	3	121.6082	0.360	4	122.2952	2.629	5	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.0430	0.000	1	125.0430	0.000	1	122.2952	2.629	5	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4753	1.308	4	125.4753	1.712	4	125.4753	1.712	4	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	133.3950	0.000	1	133.3950	0.000	1	133.3950	0.000	1	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	125.8605	0.774	2	125.3786	1.370	7	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	124.7570	1.655	3	125.3786	1.370	7	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	125.8290	0.344	2	125.3786	1.370	7	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.3520	0.833	2	126.3520	0.694	2	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	125.0020	0.000	1	125.0020	0.000	1	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	126.5200	0.000	1	126.5200	0.000	1	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	126.8510	0.547	2	126.6079	0.314	11	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.5912	0.669	6	126.6079	0.314	11	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	126.4793	0.463	3	126.6079	0.314	11	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	127.4560	0.000	1	127.4560	0.000	1	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<3>,2|H<1>}	125.1580	0.000	1	125.1580	0.000	1	126.1324	0.989	24	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	126.3330	0.000	1	126.3330	0.000	1	126.3330	0.000	1	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	126.0530	0.000	1	126.0840	0.002	2	126.6142	1.467	9	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	126.1150	0.000	1	126.0840	0.002	2	126.6142	1.467	9	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>}	128.0980	0.800	2	128.0980	0.641	2	126.6142	1.467	9	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	125.0220	0.000	1	125.0220	0.000	1	126.6142	1.467	9	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	127.7210	0.000	1	127.7210	0.000	1	126.6142	1.467	9	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.1403	0.920	3	126.1403	0.846	3	126.6142	1.467	9	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS)	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	127.7780	0.062	2	127.7780	0.004	2	127.7780	0.004	2	125.8967	4.394	47	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,4|C<3>}	125.3770	0.000	1	125.3770	0.000	1	125.3770	0.000	1	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	125.0470	0.000	1	125.0470	0.000	1	125.0470	0.000	1	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>}	125.5380	0.865	3	125.5380	0.749	3	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	123.0960	0.570	2	123.0960	0.325	2	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	126.8200	0.000	1	126.8200	0.000	1	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	125.1810	0.000	1	125.1810	0.000	1	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	126.3405	0.220	2	125.9582	0.868	10	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	124.6620	0.000	1	125.9582	0.868	10	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,3|N<2>}	126.0080	0.000	1	125.9582	0.868	10	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	125.6728	1.157	4	125.9582	0.868	10	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|P<4>,2|H<1>}	126.5140	0.000	1	125.9582	0.868	10	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	127.0260	0.000	1	125.9582	0.868	10	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.6470	0.000	1	126.5430	0.022	2	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	126.4390	0.000	1	126.5430	0.022	2	125.6566	1.493	19	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	121.5173	0.552	3	121.5173	0.304	3	121.5173	0.304	3	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	126.8000	0.000	1	126.8000	0.000	1	126.8000	0.000	1	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH){1|H<1>,2|C<3>,2|O<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	125.0200	0.000	1	125.0200	0.000	1	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	124.8560	0.000	1	124.8560	0.000	1	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	122.9840	0.000	1	122.9840	0.000	1	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH){1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	125.6730	0.000	1	125.6730	0.000	1	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.2590	0.000	1	125.5322	0.083	5	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.7100	0.219	3	125.5322	0.083	5	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	125.2720	0.000	1	125.5322	0.083	5	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.8860	0.000	1	125.8860	0.000	1	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	123.1120	0.000	1	123.4965	0.296	2	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	123.8810	0.000	1	123.4965	0.296	2	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	123.6770	0.000	1	123.6770	0.000	1	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,2|N<3>}	126.4240	0.000	1	124.3752	2.065	4	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	123.6923	0.547	3	124.3752	2.065	4	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.8380	1.294	2	126.8380	1.674	2	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	126.0598	0.319	6	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	126.3810	0.000	1	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>}	127.3720	0.000	1	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	127.0673	0.163	3	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|P<4>}	126.6210	0.000	1	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	126.2703	2.572	3	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	127.6810	0.000	1	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	127.2580	0.000	1	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.8993	0.480	3	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|P<4>,2|H<1>}	127.1280	0.000	1	126.6434	0.987	21	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	127.0060	0.000	1	127.0060	0.000	1	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	125.9660	0.000	1	126.8490	0.770	3	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	127.7210	0.000	1	126.8490	0.770	3	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	126.8600	0.000	1	126.8490	0.770	3	125.9316	1.951	44	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	125.6325	2.471	70	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.0980	0.071	2	125.0980	0.005	2	125.0980	0.005	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.3870	0.000	1	125.3870	0.000	1	125.9440	2.490	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	127.7250	0.000	1	127.7250	0.000	1	125.9440	2.490	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.7200	0.000	1	124.7200	0.000	1	125.9440	2.490	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	123.0540	0.018	2	123.0540	0.000	2	122.7992	0.503	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	121.9465	0.333	2	121.9465	0.111	2	122.7992	0.503	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	123.3970	0.324	2	123.3970	0.105	2	122.7992	0.503	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.9890	0.000	1	125.7110	0.155	2	126.1697	0.708	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4330	0.000	1	125.7110	0.155	2	126.1697	0.708	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	127.0870	0.000	1	127.0870	0.000	1	126.1697	0.708	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	127.1250	0.000	1	127.1250	0.000	1	127.1250	0.000	1	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|N<3>,2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.6380	0.000	1	122.6380	0.000	1	124.2640	5.288	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.8900	0.000	1	125.8900	0.000	1	124.2640	5.288	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.5990	1.107	2	123.9418	4.393	5	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.9275	0.005	2	123.9418	4.393	5	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.6560	0.000	1	123.9418	4.393	5	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	126.3830	0.000	1	126.3830	0.000	1	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.6815	0.452	2	123.0578	2.765	6	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.0430	0.000	1	123.0578	2.765	6	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.6190	0.000	1	123.0578	2.765	6	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7900	0.000	1	123.0578	2.765	6	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	124.5320	0.000	1	123.0578	2.765	6	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	124.5880	0.000	1	124.5880	0.000	1	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	127.4870	0.000	1	127.4870	0.000	1	124.0367	4.224	14	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|C<4>,1|H<1>,4|C<3>}	127.2720	0.000	1	127.1045	0.056	2	127.1045	0.056	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|H<1>,2|C<4>,3|C<3>}	126.9370	0.000	1	127.1045	0.056	2	127.1045	0.056	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.6637	0.678	6	125.6637	0.459	6	125.6637	0.459	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	126.1990	0.000	1	126.1990	0.000	1	125.4422	0.513	29	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4548	0.585	16	125.4548	0.342	16	125.4422	0.513	29	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4360	0.428	4	125.4360	0.183	4	125.4422	0.513	29	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(COO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(COO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.3254	1.069	8	125.3254	1.142	8	125.4422	0.513	29	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){2|N<3>,5|C<3>}	127.2585	1.520	2	127.2585	2.309	2	125.1383	14.640	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	120.8980	0.000	1	120.8980	0.000	1	125.1383	14.640	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	129.1800	0.000	1	129.1800	0.000	1	129.1800	0.000	1	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	128.1200	0.000	1	128.1200	0.000	1	128.1200	0.000	1	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3280	0.000	1	121.3280	0.000	1	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.0130	0.000	1	121.2880	10.544	3	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4255	0.524	2	121.2880	10.544	3	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	125.6380	0.000	1	125.6380	0.000	1	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	125.7225	1.158	2	125.7225	1.340	2	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	128.6715	1.896	2	128.6715	3.594	2	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4810	0.703	2	125.2678	1.562	75	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8160	0.000	1	125.2678	1.562	75	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.5400	1.009	4	125.2678	1.562	75	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4287	0.932	68	125.2678	1.562	75	125.1751	2.743	84	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	C(N[5a]C[5a,6a]2)(NCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(NCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.5210	1.539	4	125.5210	2.370	4	125.5210	2.370	4	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH)	C(N[5a]C[5a,6a]2)2(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)2(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.6642	0.199	4	125.6642	0.040	4	125.6642	0.040	4	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,4|H<1>}	124.7895	0.124	2	124.7895	0.015	2	124.8437	0.016	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	124.9520	0.000	1	124.9520	0.000	1	124.8437	0.016	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	127.0210	0.000	1	127.0210	0.000	1	126.7440	0.153	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	126.4670	0.000	1	126.4670	0.000	1	126.7440	0.153	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	130.7440	2.232	2	130.7440	4.980	2	131.9043	6.529	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	134.2250	0.000	1	134.2250	0.000	1	131.9043	6.529	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	127.9040	0.000	1	127.9040	0.000	1	127.9040	0.000	1	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.0660	0.000	1	123.0660	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	122.8632	0.576	4	123.5653	1.390	6	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	125.1110	0.000	1	123.5653	1.390	6	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	124.8280	0.000	1	123.5653	1.390	6	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	124.4660	0.000	1	124.4660	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.7620	0.000	1	124.7620	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	124.4690	0.000	1	124.4690	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	125.2460	0.000	1	125.2460	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	125.4780	0.000	1	125.4780	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.5850	0.000	1	123.5850	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	124.7030	0.000	1	124.7030	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	122.9125	0.646	2	122.9125	0.417	2	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>}	123.1090	0.000	1	123.1090	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.3770	0.359	4	125.2876	0.137	5	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	124.9300	0.000	1	125.2876	0.137	5	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	126.0580	0.000	1	126.0580	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,3|C<4>}	125.5450	0.000	1	125.5450	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.8965	0.073	2	126.8965	0.005	2	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.7000	0.594	4	126.7000	0.352	4	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	125.8720	0.000	1	125.8720	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	125.6400	0.000	1	125.6400	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	129.4910	0.000	1	129.4910	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	128.0990	0.000	1	128.0990	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	124.8530	0.000	1	124.8530	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	128.4010	0.000	1	128.4010	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	125.8360	0.000	1	125.8360	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	128.5870	0.000	1	128.5870	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	126.9360	0.000	1	126.9164	1.100	5	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	126.9115	1.211	4	126.9164	1.100	5	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	127.1660	1.179	2	127.1660	1.391	2	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.4935	0.991	2	126.4724	0.383	5	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	125.9010	0.000	1	126.4724	0.383	5	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	126.7370	0.291	2	126.4724	0.383	5	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	125.6030	0.000	1	125.6030	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.3580	0.000	1	125.3580	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	128.0640	0.000	1	128.0640	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	127.4490	0.000	1	127.4490	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	126.7047	0.724	3	126.7047	0.525	3	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	127.2020	0.000	1	127.2020	0.000	1	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	124.0115	1.307	6	124.0115	1.709	6	125.6351	2.889	64	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	128.9860	0.832	2	128.9860	0.691	2	128.9860	0.691	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	124.5810	0.000	1	124.5810	0.000	1	125.7892	3.475	5	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	123.1290	0.000	1	123.1290	0.000	1	125.7892	3.475	5	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	127.4550	0.000	1	127.4550	0.000	1	125.7892	3.475	5	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	127.1760	0.000	1	126.8905	0.163	2	125.7892	3.475	5	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	126.6050	0.000	1	126.8905	0.163	2	125.7892	3.475	5	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	124.1970	0.000	1	124.1970	0.000	1	125.8028	1.080	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	125.1330	0.000	1	125.1330	0.000	1	125.8028	1.080	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.8940	0.000	1	126.8940	0.000	1	125.8028	1.080	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	125.9570	0.000	1	125.8575	0.020	2	125.8028	1.080	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	125.7580	0.000	1	125.8575	0.020	2	125.8028	1.080	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.8780	0.000	1	126.8780	0.000	1	125.8028	1.080	6	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	121.8380	0.000	1	121.8380	0.000	1	123.2883	1.708	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	124.0135	0.510	2	124.0135	0.260	2	123.2883	1.708	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	125.1400	0.000	1	125.1400	0.000	1	125.1400	0.000	1	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	129.5230	0.047	2	129.5230	0.002	2	129.5230	0.002	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,6|C<3>}	128.4605	0.945	2	128.4605	0.894	2	129.3143	1.270	4	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	130.1680	0.000	2	130.1680	0.000	2	129.3143	1.270	4	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.9560	0.000	1	124.9560	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	124.9808	0.891	4	124.1556	1.204	9	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	124.2800	0.000	1	124.1556	1.204	9	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.6640	0.000	1	124.1556	1.204	9	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	122.2150	0.000	1	124.1556	1.204	9	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	123.5870	0.000	1	124.1556	1.204	9	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	123.7310	0.000	1	124.1556	1.204	9	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.7930	0.000	1	124.7930	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.7430	0.000	1	124.7430	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	124.2906	0.940	11	124.1243	0.774	15	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	123.6520	0.000	1	124.1243	0.774	15	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	123.6717	0.659	3	124.1243	0.774	15	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	129.2950	0.000	1	129.2950	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	129.2880	0.383	2	129.2880	0.147	2	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	125.9102	0.840	18	125.6150	0.811	48	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	126.4210	0.000	1	125.6150	0.811	48	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	126.1780	1.136	2	125.6150	0.811	48	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	124.9040	0.000	1	125.6150	0.811	48	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	125.3538	0.921	24	125.6150	0.811	48	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	125.1000	0.000	1	125.6150	0.811	48	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	125.8630	0.000	1	125.6150	0.811	48	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	125.3585	0.538	2	125.3585	0.290	2	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	126.4113	0.911	3	126.0291	5.252	8	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	122.5995	0.286	2	126.0291	5.252	8	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	127.9333	0.298	3	126.0291	5.252	8	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.0800	2.008	8	124.1939	2.516	42	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	124.3240	0.000	1	124.1939	2.516	42	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.4599	1.399	33	124.1939	2.516	42	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.4203	0.522	3	123.4466	0.159	5	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.4860	0.291	2	123.4466	0.159	5	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.0436	0.859	20	124.9006	0.802	25	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|C<4>}	123.9010	0.000	1	124.9006	0.802	25	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.4355	0.994	4	124.9006	0.802	25	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.6400	0.000	1	125.6400	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	126.7103	0.664	4	126.7103	0.441	4	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){2|Cl<1>,1|C<3>,1|H<1>}	130.7940	0.000	1	130.7940	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	127.0365	0.661	6	126.6516	0.474	36	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.5746	0.679	30	126.6516	0.474	36	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	127.8315	0.742	2	127.8315	0.550	2	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	128.3930	0.000	1	128.3930	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C){1|C<3>,1|H<1>}	129.4310	0.000	1	129.4310	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	125.5920	0.000	1	125.5920	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|H<1>}	124.7790	0.000	1	124.7790	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	126.6570	0.000	1	126.6570	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	126.4445	0.122	2	126.4445	0.015	2	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	129.7290	0.000	1	129.7290	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	128.0630	0.000	1	130.1844	2.491	7	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	130.5380	1.392	6	130.1844	2.491	7	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	125.9198	1.020	12	126.0579	0.853	16	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	126.2765	0.506	2	126.0579	0.853	16	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	126.6680	0.146	2	126.0579	0.853	16	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	126.3390	0.000	1	126.3390	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	129.2400	0.000	1	129.2400	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	126.9780	0.000	1	126.9780	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	122.4705	8.260	2	122.4705	68.223	2	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,4|C<3>}	131.3170	0.000	1	131.3170	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,3|C<3>}	127.1540	0.000	1	127.1540	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Br<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	130.5860	0.000	1	130.5860	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	129.3670	0.000	1	129.3670	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	129.3210	0.000	1	129.3210	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	126.3450	0.000	1	126.3450	0.000	1	125.6571	3.859	246	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C){3|H<1>,4|C<3>}	130.0090	0.523	2	130.0090	0.274	2	130.0090	0.274	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	128.0285	0.818	2	128.0285	0.669	2	127.2693	2.064	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	125.7510	0.000	1	125.7510	0.000	1	127.2693	2.064	3	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	126.3780	0.000	1	126.3780	0.000	1	126.7330	0.252	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	127.0880	0.000	1	127.0880	0.000	1	126.7330	0.252	2	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.7260	0.000	1	126.7260	0.000	1	127.0711	0.060	7	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	127.2120	0.171	4	127.2120	0.029	4	127.0711	0.060	7	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	126.9620	0.229	2	126.9620	0.052	2	127.0711	0.060	7	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	126.4690	0.000	1	126.4690	0.000	1	126.4665	0.286	4	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	126.4657	0.655	3	126.4657	0.429	3	126.4665	0.286	4	125.6333	3.770	527	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.0300	0.000	1	122.0300	0.000	1	122.0300	0.000	1	126.4828	7.683	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	128.6750	0.192	2	128.6750	0.037	2	128.6750	0.037	2	126.4828	7.683	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.7250	0.000	1	125.7250	0.000	1	126.5170	1.255	2	126.4828	7.683	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	127.3090	0.000	1	127.3090	0.000	1	126.5170	1.255	2	126.4828	7.683	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.7760	2.869	2	125.7760	8.234	2	125.7760	8.234	2	126.1397	2.221	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.1950	0.000	1	125.1950	0.000	1	125.1950	0.000	1	126.1397	2.221	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	125.0080	0.000	1	125.0080	0.000	1	125.0080	0.000	1	126.1397	2.221	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	128.0150	0.000	1	128.0150	0.000	1	126.8193	1.452	3	126.1397	2.221	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	126.8380	0.000	1	126.8380	0.000	1	126.8193	1.452	3	126.1397	2.221	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	125.6050	0.000	1	125.6050	0.000	1	126.8193	1.452	3	126.1397	2.221	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	126.9050	0.000	1	126.9050	0.000	1	126.9050	0.000	1	126.1397	2.221	8	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-3:S[6a]-2:	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a])	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH){1|C<3>,1|S<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a]){1|C<3>,1|S<1>,1|S<2>}	124.1213	0.169	4	124.1213	0.029	4	124.1213	0.029	4	124.2316	0.082	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,4|H<1>}	124.6730	0.000	1	124.6730	0.000	1	124.6730	0.000	1	124.2316	0.082	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	124.8425	0.033	2	124.8425	0.001	2	124.8425	0.001	2	125.7664	2.403	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	124.2840	0.000	1	124.2840	0.000	1	126.3823	3.383	3	125.7664	2.403	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	127.4315	0.402	2	127.4315	0.162	2	126.3823	3.383	3	125.7664	2.403	5	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	124.9640	0.000	1	124.9640	0.000	1	125.2625	0.178	2	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){4|C<3>}	125.5610	0.000	1	125.5610	0.000	1	125.2625	0.178	2	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:B[5,5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	126.8170	0.000	1	127.3910	0.659	2	127.3910	0.659	2	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:B[5,5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	127.9650	0.000	1	127.3910	0.659	2	127.3910	0.659	2	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3610	0.000	1	123.7650	0.326	2	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	124.1690	0.000	1	123.7650	0.326	2	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	122.6250	0.000	1	122.6250	0.000	1	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	121.5800	0.000	1	121.5800	0.000	1	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	127.0460	0.000	1	127.0460	0.000	1	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	125.4530	0.000	1	125.4530	0.000	1	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.2425	0.272	2	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	126.7640	0.000	1	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	126.0920	0.000	1	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	127.3220	0.000	1	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	125.9520	0.000	1	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	127.6990	1.045	3	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	125.9145	1.699	4	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.3666	0.694	10	126.3059	1.439	23	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	126.9110	0.000	1	125.8630	2.197	2	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	124.8150	0.000	1	125.8630	2.197	2	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	125.3480	0.000	1	125.3480	0.000	1	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	127.5010	0.629	2	127.3753	0.245	3	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	127.1240	0.000	1	127.3753	0.245	3	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|N<2>}	128.1180	0.000	1	126.8117	1.524	3	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.1585	0.699	2	126.8117	1.524	3	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	127.6610	0.000	1	126.3337	2.253	3	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	125.6700	1.365	2	126.3337	2.253	3	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.7970	0.137	2	126.7970	0.019	2	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.5020	0.000	1	126.5020	0.000	1	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	126.9407	1.098	3	126.9407	1.206	3	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	126.5150	0.000	1	126.5150	0.000	1	126.1529	2.146	48	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	125.8800	0.000	1	127.4035	4.642	2	125.8110	3.261	6	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	128.9270	0.000	1	127.4035	4.642	2	125.8110	3.261	6	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	124.8210	1.342	3	124.8210	1.802	3	125.8110	3.261	6	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	125.5960	0.000	1	125.5960	0.000	1	125.8110	3.261	6	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	127.5820	1.354	3	127.5820	1.833	3	126.3333	3.600	6	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	126.2240	0.000	1	125.0847	2.489	3	126.3333	3.600	6	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	124.5150	1.741	2	125.0847	2.489	3	126.3333	3.600	6	126.1486	2.247	64	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	B[5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,4|B<6>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	118.3607	0.347	4	118.3607	0.120	4	118.3927	0.097	6	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	B[5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,5|B<6>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	118.4565	0.332	2	118.4565	0.110	2	118.3927	0.097	6	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	129.9100	0.000	1	129.9100	0.000	1	129.9100	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|S<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	125.0910	0.000	1	125.0910	0.000	1	125.0910	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.7990	0.000	1	123.7990	0.000	1	126.6020	3.911	4	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	126.6260	0.000	1	126.6260	0.000	1	126.6020	3.911	4	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	127.9100	0.000	1	127.9100	0.000	1	126.6020	3.911	4	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	128.0730	0.000	1	128.0730	0.000	1	126.6020	3.911	4	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	121.2694	0.600	22	121.2694	0.360	22	121.6051	0.884	74	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	121.3602	0.445	32	121.3602	0.198	32	121.6051	0.884	74	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.6896	0.612	18	122.6896	0.375	18	121.6051	0.884	74	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH)	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	119.4570	3.107	2	119.4570	9.654	2	121.6051	0.884	74	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	130.2131	1.000	7	130.2604	0.768	9	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	130.4260	0.267	2	130.2604	0.768	9	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	123.3895	1.001	2	123.3895	1.001	2	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Ir)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6]2Ir)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	129.3440	0.897	4	129.3440	0.804	4	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Ir)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Ir)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,2|C<3>,2|H<1>}	123.4885	0.706	2	123.4885	0.499	2	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PIrCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PIrCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	129.1353	0.612	10	129.1353	0.374	10	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PNiCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PNiCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	129.9836	0.625	18	129.9836	0.390	18	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PPdCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PPdCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	128.7426	0.315	14	128.7426	0.099	14	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Pt)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Pt)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,2|C<3>,2|H<1>}	125.1180	0.000	1	125.1180	0.000	1	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PPtCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PPtCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	129.7823	0.394	4	129.7823	0.155	4	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PRhCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PRhCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	129.1035	0.918	4	129.1035	0.843	4	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	129.4410	1.061	2	128.0834	1.531	8	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	127.4090	0.195	2	128.0834	1.531	8	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	127.7417	1.224	4	128.0834	1.531	8	128.9771	2.884	76	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.9930	0.000	1	123.9930	0.000	1	123.9930	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.6760	0.915	6	122.6760	0.837	6	122.6760	0.837	6	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>}	124.8992	0.455	4	124.8992	0.207	4	125.4557	2.126	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	125.7340	2.290	2	125.4330	2.893	3	125.4557	2.126	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	124.8310	0.000	1	125.4330	2.893	3	125.4557	2.126	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.7680	0.000	1	124.7680	0.000	1	125.4557	2.126	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	128.4370	0.000	1	128.4370	0.000	1	125.4557	2.126	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	127.4520	0.000	1	127.4315	0.001	2	127.4315	0.001	2	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	127.4110	0.000	1	127.4315	0.001	2	127.4315	0.001	2	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	128.2877	0.773	4	128.2877	0.598	4	128.4096	0.534	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	128.3190	0.000	1	128.3190	0.000	1	128.4096	0.534	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	128.3390	0.000	1	129.0965	1.148	2	128.4096	0.534	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	129.8540	0.000	1	129.0965	1.148	2	128.4096	0.534	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	128.0210	0.000	1	128.0210	0.000	1	128.4096	0.534	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	128.0020	0.000	1	128.0020	0.000	1	128.4096	0.534	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	129.2845	1.149	2	129.2845	1.320	2	127.1585	6.470	4	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	125.0325	0.105	2	125.0325	0.011	2	127.1585	6.470	4	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	128.6700	0.000	1	128.6700	0.000	1	126.2626	5.894	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	125.2032	1.204	4	125.2032	1.450	4	126.2626	5.894	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	125.4402	1.322	5	125.2703	1.571	6	126.2626	5.894	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){5|C<3>}	124.4210	0.000	1	125.2703	1.571	6	126.2626	5.894	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	124.5360	0.000	1	124.5360	0.000	1	126.2626	5.894	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){6|C<3>}	131.0175	0.132	2	131.0175	0.017	2	126.2626	5.894	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3170	0.124	2	121.3170	0.015	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.6190	0.000	1	121.4633	1.011	3	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8855	0.977	2	121.4633	1.011	3	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	121.8035	0.196	2	121.7239	0.240	11	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.8500	0.000	1	121.7239	0.240	11	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.5680	0.710	4	121.7239	0.240	11	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8085	0.480	4	121.7239	0.240	11	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4678	0.242	5	119.4678	0.058	5	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.3490	0.000	1	122.0670	2.969	4	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	120.3350	0.000	1	122.0670	2.969	4	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7920	0.741	2	122.0670	2.969	4	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	126.7220	0.000	1	126.7220	0.000	1	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	125.5300	0.000	1	125.5300	0.000	1	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.6980	1.293	4	125.6980	1.671	4	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.1645	1.785	2	125.1645	3.188	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCFH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.6485	2.310	2	125.6485	5.337	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	118.8750	0.229	2	118.8750	0.052	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	118.5590	0.150	2	118.5590	0.022	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.8707	0.906	7	125.8707	0.821	7	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	125.9740	0.000	1	125.8785	0.018	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	125.7830	0.000	1	125.8785	0.018	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.0660	0.375	2	125.5728	1.009	154	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7420	0.000	1	125.5728	1.009	154	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	125.8622	0.774	5	125.5728	1.009	154	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	126.7690	0.000	1	125.5728	1.009	154	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.7950	0.163	2	125.5728	1.009	154	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.5920	0.994	143	125.5728	1.009	154	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.6725	1.015	4	124.6725	1.030	4	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CClHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CClHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.8140	0.672	2	125.8140	0.451	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCuOO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCuOO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4770	0.697	2	125.4770	0.486	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Cl<1>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.2700	0.000	1	123.4110	2.604	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.5520	0.000	1	123.4110	2.604	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	125.5299	0.562	8	125.5299	0.316	8	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	130.6980	0.000	1	130.6980	0.000	1	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H){1|H<1>,4|C<3>}	121.1630	0.000	1	121.1630	0.000	1	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){6|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	121.0180	0.700	2	121.0180	0.490	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Br<1>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	129.2490	0.000	1	126.2120	7.691	3	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Br<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	124.6935	1.244	2	126.2120	7.691	3	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	126.5473	0.947	3	128.3342	2.604	10	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	128.5020	1.417	3	128.3342	2.604	10	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	129.9870	0.887	2	128.3342	2.604	10	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	129.6140	0.000	1	128.3342	2.604	10	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	128.6060	0.000	1	128.3342	2.604	10	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Cl<1>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	129.0690	0.000	1	129.0690	0.000	1	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Br<1>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.0560	0.000	1	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.7000	0.300	3	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4173	0.671	6	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.1945	0.223	2	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9930	0.000	1	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	126.3570	0.000	1	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	125.3660	0.000	1	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	126.0490	0.151	2	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	125.5860	1.235	2	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.6305	0.718	2	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.3495	0.861	4	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	126.4400	0.000	1	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>}	124.8240	0.000	1	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4739	0.784	153	125.2359	1.462	180	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CHHI)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.7325	2.454	2	125.7325	6.024	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4630	1.252	4	125.4630	1.568	4	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CHHO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CHHO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.7100	0.763	4	125.7100	0.581	4	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CHOO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.7980	0.458	2	124.7980	0.210	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.5940	1.990	2	125.5940	3.959	2	125.1641	3.082	432	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	128.9100	0.000	1	128.9100	0.000	1	128.5525	6.782	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	129.6119	0.304	11	129.6119	0.092	11	128.5525	6.782	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	122.5470	1.622	2	122.5470	2.631	2	128.5525	6.782	14	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	C(N[5a]C[5a,6a]2)(NInCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(NInCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.4990	0.441	2	125.4990	0.195	2	125.4990	0.195	2	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,2|C<3>,2|H<1>}	123.7220	0.000	1	123.7220	0.000	1	123.7220	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	121.3270	0.000	1	121.3270	0.000	1	124.7620	23.598	2	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	128.1970	0.000	1	128.1970	0.000	1	124.7620	23.598	2	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C){1|S<2>,4|C<3>}	126.1355	0.049	2	126.1355	0.002	2	126.1355	0.002	2	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	132.1640	0.000	1	132.1640	0.000	1	132.1640	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	127.4414	0.667	7	127.4414	0.445	7	127.5341	0.693	10	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	126.7210	0.000	1	126.7210	0.000	1	127.5341	0.693	10	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	128.2650	1.335	2	128.2650	1.782	2	127.5341	0.693	10	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	123.0320	0.000	1	123.0320	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.3310	0.000	1	123.6570	1.293	5	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.7385	1.296	4	123.6570	1.293	5	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	123.9840	0.000	1	123.7420	0.117	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.5000	0.000	1	123.7420	0.117	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	124.5310	0.000	1	124.5310	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	125.9360	0.000	1	125.9360	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.6757	2.314	3	125.6757	5.354	3	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	127.4820	0.000	1	127.4820	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.5325	1.087	2	123.2625	0.956	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	123.8280	0.000	1	123.2625	0.956	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	122.1570	0.000	1	123.2625	0.956	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	126.3280	0.000	1	125.9320	0.778	7	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	125.8660	0.947	6	125.9320	0.778	7	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	125.5230	0.000	1	125.5230	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	124.8168	1.164	6	124.3001	1.494	10	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	123.5250	0.941	4	124.3001	1.494	10	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	126.3990	0.000	1	126.3990	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	126.7920	1.360	2	126.7920	1.851	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	125.3730	0.000	1	125.3730	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	120.6960	0.000	1	120.6960	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	122.8640	2.435	4	123.0506	4.621	5	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.7970	0.000	1	123.0506	4.621	5	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	126.3230	0.000	1	126.3230	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	124.8650	0.000	1	124.8650	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	123.7680	0.000	1	123.7680	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.4290	0.000	1	123.4290	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	122.8640	0.000	1	124.0921	0.777	18	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	123.5400	0.262	2	124.0921	0.777	18	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.2476	0.872	15	124.0921	0.777	18	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	122.5285	0.145	2	122.5285	0.021	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	122.8527	0.190	3	123.8588	0.954	8	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.4624	0.661	5	123.8588	0.954	8	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	124.3240	0.000	1	124.3240	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.2620	0.000	1	124.2620	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	122.9558	0.445	5	122.9558	0.198	5	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.2170	0.000	1	123.2170	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	128.0770	0.000	1	128.0770	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	126.8250	0.553	2	126.8250	0.306	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.5480	0.865	7	125.1674	1.139	9	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.8355	0.243	2	125.1674	1.139	9	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.5979	0.531	9	125.4940	0.294	11	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	125.0265	0.391	2	125.4940	0.294	11	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	124.9850	0.095	2	124.9850	0.009	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	126.6020	0.000	1	126.6020	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.1090	0.000	1	122.1090	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.4557	1.409	3	126.4557	1.987	3	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.6720	0.308	2	125.6720	0.095	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.8853	0.561	3	127.0470	0.314	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	127.5320	0.000	1	127.0470	0.314	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.5070	0.000	1	126.5070	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	127.7470	0.000	1	127.7470	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.2527	0.459	7	126.2527	0.211	7	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	127.0490	0.000	1	126.7190	0.132	3	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.5540	0.318	2	126.7190	0.132	3	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.8725	1.451	4	125.8725	2.107	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	128.7870	0.000	1	127.4350	0.873	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.9843	0.302	3	127.4350	0.873	4	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	124.4630	0.000	1	124.4630	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	125.7793	1.442	3	125.7793	2.081	3	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	125.9480	0.000	1	125.9480	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	126.1800	0.000	1	126.1800	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	125.8790	0.000	1	125.8790	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	128.1070	0.175	2	128.1070	0.031	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.9030	0.000	1	125.9030	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	127.8965	0.288	2	126.7972	0.442	13	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	126.4100	0.000	1	126.7972	0.442	13	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	127.1440	0.000	1	126.7972	0.442	13	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	126.5574	0.502	9	126.7972	0.442	13	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	128.1620	0.703	2	128.1620	0.494	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.3540	0.038	2	126.3540	0.001	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	128.2280	0.000	1	128.2280	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.9825	0.658	2	126.9825	0.433	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|N<2>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	127.2020	0.000	1	127.2020	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	123.9960	0.000	1	123.9960	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	125.9687	0.453	3	125.9687	0.205	3	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	126.1210	0.000	1	126.1210	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	126.0735	0.357	2	126.0735	0.128	2	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	124.4612	1.245	5	124.4612	1.551	5	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	123.9060	0.000	1	123.9060	0.000	1	125.2446	2.750	186	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	128.8644	0.535	5	129.0595	0.457	6	129.0595	0.457	6	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	130.0350	0.000	1	129.0595	0.457	6	129.0595	0.457	6	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[3]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH)	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	125.6560	0.000	1	125.6560	0.000	1	125.6560	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[3x6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	127.7240	0.054	2	127.7240	0.003	2	127.7240	0.003	2	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[4]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH)	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	128.7310	0.000	1	128.7310	0.000	1	128.7310	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	131.0410	0.000	1	131.0410	0.000	1	131.0410	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.0190	0.000	1	124.0190	0.000	1	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	124.3468	1.182	5	124.3468	1.397	5	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	125.7230	0.000	1	125.7230	0.000	1	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	126.4940	0.000	1	126.4940	0.000	1	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	126.9590	0.088	2	126.9590	0.008	2	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	126.8900	1.256	3	126.8900	1.577	3	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	127.4160	0.000	1	127.4160	0.000	1	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	126.2720	0.000	1	126.2720	0.000	1	125.7497	2.287	15	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN)	C(N[5a]C[5a,6a]C[5a])(NPdCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NPdCC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	128.1660	0.000	1	128.1660	0.000	1	128.1660	0.000	1	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH)	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	122.1213	0.926	4	122.1213	0.857	4	122.1213	0.857	4	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:Si[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	120.1400	0.000	1	120.1400	0.000	1	121.5428	0.543	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:Si[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	121.3050	0.004	2	121.3050	0.000	2	121.5428	0.543	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:Si[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	121.8558	0.578	6	121.8558	0.335	6	121.5428	0.543	9	125.3188	6.147	897	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.6190	0.000	1	125.6190	0.000	1	125.6190	0.000	1	125.1265	28.282	6	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	118.8255	1.224	2	118.8255	1.498	2	118.8255	1.498	2	125.1265	28.282	6	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.4375	1.281	2	130.4375	1.640	2	130.4375	1.640	2	125.1265	28.282	6	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:S-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	126.6140	0.000	1	126.6140	0.000	1	126.6140	0.000	1	125.1265	28.282	6	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.6440	0.000	1	123.6440	0.000	1	125.7705	9.044	2	125.7705	9.044	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	127.8970	0.000	1	127.8970	0.000	1	125.7705	9.044	2	125.7705	9.044	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:C-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){2|C<4>,5|C<3>}	125.8490	0.604	2	125.8490	0.365	2	125.8490	0.365	2	125.4167	0.406	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:C-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.9845	0.327	2	124.9845	0.107	2	124.9845	0.107	2	125.4167	0.406	4	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	125.1170	0.000	1	125.1170	0.000	1	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,3|C<3>}	125.0390	0.000	1	125.0390	0.000	1	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	125.8540	1.566	7	125.7207	1.336	24	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	125.7558	1.107	9	125.7207	1.336	24	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	125.7560	0.000	1	125.7207	1.336	24	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	125.3537	1.311	4	125.7207	1.336	24	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	125.9195	0.496	2	125.7207	1.336	24	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	125.5070	0.000	1	125.7207	1.336	24	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	127.0815	1.913	2	127.0815	3.659	2	125.7720	1.439	28	125.7720	1.439	28	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH)	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	126.1100	0.000	1	126.1100	0.000	1	126.1100	0.000	1	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH)	C(N[5a]C[5a,6a]2)(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.3922	1.875	6	125.4835	3.910	8	125.4835	3.910	8	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH)	C(N[5a]C[5a,6a]2)(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.7575	3.098	2	125.4835	3.910	8	125.4835	3.910	8	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	125.2390	0.000	1	125.1322	0.445	5	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.1055	0.767	4	125.1322	0.445	5	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	124.6520	0.000	1	124.6520	0.000	1	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	126.3820	0.759	2	126.3820	0.577	2	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	127.4940	0.000	1	127.4940	0.000	1	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.0240	0.000	1	126.0240	0.000	1	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	125.5565	0.121	2	125.5565	0.015	2	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	127.2580	0.000	1	127.2580	0.000	1	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	126.5960	0.000	1	126.5960	0.000	1	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	128.5280	0.000	1	128.5280	0.000	1	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,2|H<1>}	127.0162	0.239	6	127.0162	0.057	6	126.2946	1.193	21	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	126.9550	0.000	1	126.9550	0.000	1	126.9550	0.000	1	126.1006	1.860	31	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	126.6580	0.536	2	126.6580	0.287	2	126.6580	0.287	2	126.6580	0.287	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	126.7513	0.524	3	126.7513	0.274	3	125.7321	4.668	8	125.9937	3.946	10	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	123.7993	0.649	3	123.7993	0.421	3	125.7321	4.668	8	125.9937	3.946	10	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	124.5330	0.000	1	124.5330	0.000	1	125.7321	4.668	8	125.9937	3.946	10	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	129.6720	0.000	1	129.6720	0.000	1	125.7321	4.668	8	125.9937	3.946	10	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:Ge[6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](N[5a,6a]B[6a]C[5a])(Ge[6a]C[5a,6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a,6a](N[5a,6a]B[6a]C[5a])(Ge[6a]C[5a,6a]Cl)(N[5a]C[5a]C){2|C<3>,2|H<1>,2|N<3>}	127.0400	0.320	2	127.0400	0.102	2	127.0400	0.102	2	125.9937	3.946	10	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:5:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-5:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	124.3220	0.000	1	124.3220	0.000	1	124.3220	0.000	1	124.3220	0.000	1	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	126.5970	0.000	1	125.6825	1.673	2	125.6825	1.673	2	125.6825	1.673	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.7680	0.000	1	125.6825	1.673	2	125.6825	1.673	2	125.6825	1.673	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:4:2:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C-4:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	129.3015	0.530	2	129.3015	0.281	2	129.3015	0.281	2	129.3015	0.281	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:4:2:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C-4:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	130.9030	0.000	1	130.9030	0.000	1	130.9030	0.000	1	130.9030	0.000	1	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:4:3:	6:3:1:1:	3:3:3:	C[5a,6a]-3:C-4:C[5a]-3:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N){1|O<1>,2|N<3>}	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|C<4>}	127.8990	0.000	1	127.8990	0.000	1	127.8990	0.000	1	127.8990	0.000	1	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3)	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){2|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	123.0545	0.967	2	123.0545	0.934	2	123.0545	0.934	2	123.0545	0.934	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a,6a]	3:5:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-5:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	124.5315	0.610	2	124.5315	0.372	2	124.5315	0.372	2	124.5315	0.372	2	125.8597	5.238	3068	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<2>}	129.4050	0.000	1	129.4050	0.000	1	129.4050	0.000	1	126.9927	4.365	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	125.7865	0.011	2	125.7865	0.000	2	125.7865	0.000	2	126.9927	4.365	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	129.6729	0.591	7	129.6729	0.350	7	129.6729	0.350	7	129.7928	0.292	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3){1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC){1|N<3>}	128.1590	0.000	1	128.1590	0.000	1	128.1590	0.000	1	129.7928	0.292	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	129.9405	0.252	11	129.9405	0.063	11	129.9577	0.082	15	129.7928	0.292	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	130.2890	0.000	1	130.2890	0.000	1	129.9577	0.082	15	129.7928	0.292	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	129.4080	0.000	1	129.4080	0.000	1	129.9577	0.082	15	129.7928	0.292	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	130.1615	0.108	2	130.1615	0.012	2	129.9577	0.082	15	129.7928	0.292	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	130.0370	0.000	1	130.0370	0.000	1	130.0370	0.000	1	129.8800	0.146	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	129.4450	0.000	1	129.4450	0.000	1	129.8015	0.254	2	129.8800	0.146	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	130.1580	0.000	1	130.1580	0.000	1	129.8015	0.254	2	129.8800	0.146	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3){2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|N<3>,2|H<1>}	126.0830	0.000	1	126.0830	0.000	1	126.0830	0.000	1	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	126.7700	0.662	3	126.7700	0.438	3	126.7272	0.248	8	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|N<2>}	127.1100	0.396	2	126.7016	0.213	5	126.7272	0.248	8	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.4293	0.266	3	126.7016	0.213	5	126.7272	0.248	8	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl){1|C<4>}	129.0093	0.525	3	129.0093	0.276	3	129.0093	0.276	3	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.5735	0.172	2	127.5735	0.030	2	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	126.9700	0.000	1	127.3481	0.160	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	126.8480	0.000	1	127.3481	0.160	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	127.6990	0.000	1	127.3481	0.160	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	127.3740	0.000	1	127.3481	0.160	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	127.2370	0.000	1	127.3481	0.160	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	127.6545	0.493	2	127.3481	0.160	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.9650	0.000	1	127.7696	0.538	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	127.6594	0.866	5	127.7696	0.538	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){2|C<4>,2|H<1>}	128.1250	0.000	1	127.7696	0.538	7	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.4010	0.042	2	127.4010	0.002	2	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	128.0110	0.000	1	128.0110	0.000	1	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|I<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|C<3>}	127.7800	0.000	1	127.7800	0.000	1	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|C<4>}	127.0800	0.000	1	127.5348	0.840	4	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	128.9020	0.000	1	127.5348	0.840	4	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	127.0785	0.163	2	127.5348	0.840	4	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Os)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Os<7>,1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Os)(N[5a]N[5a]C)(H){1|C<3>}	127.3830	0.000	1	127.3830	0.000	1	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.9510	0.000	1	128.9510	0.000	1	127.6168	0.382	26	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	129.5220	0.000	1	129.5220	0.000	1	129.5220	0.000	1	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.3660	0.000	1	127.3660	0.000	1	127.3660	0.000	1	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O){2|C<3>}	126.3305	0.074	2	126.3305	0.006	2	126.3305	0.006	2	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3){2|C<3>}	C(N[5a]C[5a]O[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O){1|H<1>,2|C<3>}	131.1630	0.600	2	131.1630	0.360	2	131.1630	0.360	2	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	C(N[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	C(N[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O){1|N<2>}	124.0850	0.000	1	124.0850	0.000	1	123.6020	0.263	3	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	C(N[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|Cl<1>,1|H<1>}	C(N[5a]C[5a]S[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]S[5a]C)(O){1|Cl<1>}	123.3605	0.421	2	123.3605	0.177	2	123.6020	0.263	3	127.3967	2.293	47	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN){1|C<4>,2|C<3>}	127.6820	0.000	1	127.6820	0.000	1	127.6820	0.000	1	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC){1|C<4>}	127.9520	0.000	1	127.9520	0.000	1	127.4605	0.483	2	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC){1|C<4>}	126.9690	0.000	1	126.9690	0.000	1	127.4605	0.483	2	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	131.9180	0.000	1	131.9180	0.000	1	131.9180	0.000	1	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	128.7940	0.000	2	128.0992	0.552	6	128.1250	0.557	22	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	127.5875	1.098	2	128.0992	0.552	6	128.1250	0.557	22	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	127.9160	0.000	2	128.0992	0.552	6	128.1250	0.557	22	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	128.1431	0.660	12	128.1431	0.436	12	128.1250	0.557	22	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH){1|C<3>}	129.3940	0.000	1	129.3940	0.000	1	128.1250	0.557	22	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(ORu)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(ORu){1|C<4>}	126.7370	0.000	1	126.7370	0.000	1	128.1250	0.557	22	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){1|C<3>,1|C<4>,1|N<2>}	128.1530	0.774	2	128.1530	0.598	2	128.1250	0.557	22	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SC[6a])	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SC[6a]){1|C<4>}	128.3515	0.077	2	128.3515	0.006	2	128.3515	0.006	2	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	130.9640	0.000	1	130.9640	0.000	1	130.9640	0.000	1	128.3082	1.245	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,1|N<3>,1|O<1>}	127.3625	0.350	2	127.7047	0.412	3	127.7047	0.412	3	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,1|N<3>,2|H<1>}	128.3890	0.000	1	127.7047	0.412	3	127.7047	0.412	3	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	129.7530	0.000	1	129.7530	0.000	1	129.4197	0.631	3	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|I<1>,2|N<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	129.9930	0.000	1	129.9930	0.000	1	129.4197	0.631	3	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	128.5130	0.000	1	128.5130	0.000	1	129.4197	0.631	3	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	129.0230	0.300	2	129.0230	0.090	2	128.7590	0.145	4	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	128.3110	0.000	1	128.4950	0.068	2	128.7590	0.145	4	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	128.6790	0.000	1	128.4950	0.068	2	128.7590	0.145	4	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:B[5]-3:	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2)	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|O<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2){1|H<1>,2|C<4>}	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN){1|C<4>}	128.6960	0.000	1	128.6960	0.000	1	128.9716	0.673	8	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO){1|C<4>}	128.7900	0.000	1	128.7900	0.000	1	128.9716	0.673	8	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	129.7600	0.000	1	130.0475	0.165	2	128.9716	0.673	8	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<4>}	130.3350	0.000	1	130.0475	0.165	2	128.9716	0.673	8	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5]O){1|C<4>}	127.7780	0.000	1	127.7780	0.000	1	128.9716	0.673	8	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O){1|C<4>}	128.8520	0.000	1	128.8520	0.000	1	128.9716	0.673	8	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(CN[5]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(CN[5]O){1|C<4>}	128.7810	0.781	2	128.7810	0.609	2	128.9716	0.673	8	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(NHH){1|C<4>,1|N<2>,1|S<2>}	127.5700	0.000	1	127.5700	0.000	1	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH){1|C<3>}	127.5275	0.278	2	127.5275	0.077	2	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|C<4>}	128.0955	0.593	2	128.1560	1.083	4	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|H<1>}	127.0160	0.000	1	128.1560	1.083	4	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|N<3>}	129.4170	0.000	1	128.1560	1.083	4	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,2|N<2>}	127.6380	0.000	1	127.6380	0.000	1	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH){1|C<4>,2|C<3>}	127.1960	0.000	1	127.1960	0.000	1	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NCH){1|C<4>}	128.5127	0.188	3	128.5127	0.035	3	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHN){1|C<4>}	131.0070	0.000	1	131.0070	0.000	1	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){2|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	129.9320	0.303	2	129.9320	0.092	2	128.4328	1.391	15	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|S<2>,2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|C<2>}	129.1830	0.000	1	129.1830	0.000	1	129.1830	0.000	1	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	129.6240	0.000	1	129.6240	0.000	1	129.6240	0.000	1	128.6731	0.971	36	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	126.5760	0.000	1	126.5760	0.000	1	126.5760	0.000	1	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|B<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3){1|B<3>}	129.1140	0.000	1	129.1140	0.000	1	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|N<3>}	129.4130	0.000	1	128.7697	0.359	3	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	128.4480	0.313	2	128.7697	0.359	3	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|F<1>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO){1|H<1>}	128.2080	0.000	1	128.2080	0.000	1	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH){1|C<4>}	128.9220	0.000	1	128.9220	0.000	1	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	128.1165	0.352	4	128.4215	0.444	6	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.0315	0.856	2	128.4215	0.444	6	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO){1|C<3>}	127.2220	0.000	1	127.2220	0.000	1	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	127.6133	0.343	3	127.6133	0.118	3	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	127.9600	0.000	1	127.9600	0.000	1	128.3002	0.480	17	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3){2|C<4>,3|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,5|H<1>}	128.0340	0.000	1	128.0340	0.000	1	128.0340	0.000	1	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(SNOO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(SNOO){1|H<1>,2|N<2>}	131.1123	0.250	3	131.1123	0.063	3	130.9673	0.247	7	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO){1|H<1>}	130.7447	0.739	3	130.7447	0.546	3	130.9673	0.247	7	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SN[5a]OO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SN[5a]OO){1|H<1>}	131.2000	0.000	1	131.2000	0.000	1	130.9673	0.247	7	128.9417	2.052	26	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	130.1330	0.003	2	130.1330	0.000	2	130.1330	0.000	2	130.1330	0.000	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	130.8257	0.611	4	130.8257	0.373	4	130.8257	0.373	4	130.8257	0.373	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.0720	0.000	1	129.0720	0.000	1	129.4705	0.116	4	127.4137	11.269	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.6033	0.261	3	129.6033	0.068	3	129.4705	0.116	4	127.4137	11.269	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	128.9750	0.000	1	128.9750	0.000	1	128.9750	0.000	1	127.4137	11.269	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SP)(H)2	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS){1|O<2>}	C(N[5a]C[5a]N[5a])(SP)(H)2	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O){1|O<2>}	122.5195	0.050	2	122.5195	0.003	2	122.5195	0.003	2	127.4137	11.269	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO){1|C<2>}	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO){1|C<2>}	131.4650	0.928	2	131.4650	0.861	2	131.4650	0.861	2	131.4650	0.861	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.4430	0.000	1	128.4430	0.000	1	129.6860	1.692	3	128.4870	6.555	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(N[5a]C[5a]N[5a])(OC)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.3075	1.033	2	130.3075	1.067	2	129.6860	1.692	3	128.4870	6.555	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS){1|C<3>}	C(N[5a]C[5a]N[5a])(SC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	127.7930	0.000	1	127.7930	0.000	1	127.7930	0.000	1	128.4870	6.555	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS){1|C<3>}	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	130.2280	0.000	1	130.2280	0.000	1	130.2280	0.000	1	128.4870	6.555	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO)	C(N[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO){2|C<3>}	C(N[5a]C[5a]S[5a])(OH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	123.8430	0.000	1	123.8430	0.000	1	123.8430	0.000	1	128.4870	6.555	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(ON)(H)2	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	C(N[5a]C[5a]N[5a])(ON)(H)2	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	131.3685	0.926	2	131.3685	0.857	2	131.3685	0.857	2	131.3685	0.857	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	127.5340	0.000	1	127.5340	0.000	1	127.5340	0.000	1	127.5340	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(OH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.3120	0.000	1	128.3120	0.000	1	128.3120	0.000	1	128.3120	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:2:4:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.2340	0.000	1	130.2340	0.000	1	130.2340	0.000	1	130.2340	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.0490	0.000	1	130.0490	0.000	1	129.7555	0.189	4	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.7980	0.000	1	129.7980	0.000	1	129.7555	0.189	4	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.5875	0.650	2	129.5875	0.422	2	129.7555	0.189	4	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	128.9215	0.439	2	128.9215	0.193	2	128.9215	0.193	2	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:Br-1:H-1:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br){1|H<1>}	130.3280	0.000	1	130.3280	0.000	1	130.3280	0.000	1	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.3023	0.134	3	129.3023	0.018	3	129.3000	6.515	20	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.5077	0.401	4	129.5077	0.161	4	129.3000	6.515	20	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.7195	1.421	2	129.7195	2.018	2	129.3000	6.515	20	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	131.6140	0.000	1	131.6140	0.000	1	129.3000	6.515	20	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	128.9010	3.555	10	128.9010	12.641	10	129.3000	6.515	20	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.4216	0.722	14	129.4216	0.521	14	129.5348	0.676	15	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	131.1200	0.000	1	131.1200	0.000	1	129.5348	0.676	15	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.7290	0.000	1	129.7290	0.000	1	129.7290	0.000	1	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.4324	0.723	13	129.4519	0.487	14	129.6006	0.589	16	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	129.7060	0.000	1	129.4519	0.487	14	129.6006	0.589	16	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.6415	0.145	2	130.6415	0.021	2	129.6006	0.589	16	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NOO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	129.1240	0.000	1	129.1240	0.000	1	129.1240	0.000	1	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	128.9525	0.175	2	128.9525	0.031	2	128.9525	0.031	2	129.4610	2.396	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<2>}	128.5380	0.000	1	128.5380	0.000	1	128.0745	0.430	2	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	127.6110	0.000	1	127.6110	0.000	1	128.0745	0.430	2	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	129.0630	0.000	1	129.0630	0.000	1	128.6210	0.391	2	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	128.1790	0.000	1	128.1790	0.000	1	128.6210	0.391	2	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	125.6850	0.000	1	125.6850	0.000	1	127.4133	2.241	3	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	128.2775	0.023	2	128.2775	0.001	2	127.4133	2.241	3	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	129.4320	0.035	2	129.4320	0.001	2	129.4320	0.001	2	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|C<3>}	129.5410	0.000	1	129.5410	0.000	1	129.5410	0.000	1	128.4036	1.329	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	132.5975	1.001	2	132.5975	1.001	2	132.5975	1.001	2	130.7975	2.182	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	129.5830	0.000	1	129.5830	0.000	1	129.5830	0.000	1	130.7975	2.182	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	129.9230	0.000	1	129.9230	0.000	1	129.9230	0.000	1	130.7975	2.182	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	129.8880	0.000	1	129.8880	0.000	1	130.0420	0.047	2	130.7975	2.182	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO){1|N<3>}	130.1960	0.000	1	130.1960	0.000	1	130.0420	0.047	2	130.7975	2.182	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	131.9880	0.000	1	131.9880	0.000	1	131.8490	0.212	3	130.9505	1.398	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	131.7795	0.629	2	131.7795	0.395	2	131.8490	0.212	3	130.9505	1.398	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	131.1480	0.000	1	131.1480	0.000	1	130.5357	0.307	3	130.9505	1.398	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	130.3910	0.000	1	130.3910	0.000	1	130.5357	0.307	3	130.9505	1.398	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	130.0680	0.000	1	130.0680	0.000	1	130.5357	0.307	3	130.9505	1.398	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd){1|H<1>}	132.0725	0.906	2	132.0725	0.820	2	130.7087	2.211	6	130.9505	1.398	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru){1|H<1>}	130.0267	1.246	4	130.0267	1.552	4	130.7087	2.211	6	130.9505	1.398	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.0817	0.373	4	128.0817	0.139	4	128.6214	0.555	9	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.0532	0.693	5	129.0532	0.481	5	128.6214	0.555	9	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.4315	0.713	4	128.4315	0.509	4	128.2055	0.554	15	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	127.9750	0.000	1	127.9750	0.000	1	128.2055	0.554	15	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	127.2420	0.464	2	127.2420	0.215	2	128.2055	0.554	15	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	127.9990	0.625	2	128.0582	0.458	5	128.2055	0.554	15	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	128.1300	0.000	1	128.0582	0.458	5	128.2055	0.554	15	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.0815	1.196	2	128.0582	0.458	5	128.2055	0.554	15	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.8690	0.565	3	128.8690	0.320	3	128.2055	0.554	15	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	130.0780	0.000	1	130.0780	0.000	1	130.0780	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CNO)(F)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<4>}	C(N[5a]C[5a]N[5a])(CNO)(F)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.7930	0.000	1	129.7930	0.000	1	129.7930	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|Cl<1>,2|C<3>}	126.8290	0.000	1	126.5676	0.326	5	126.7998	0.446	10	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.7557	0.472	3	126.5676	0.326	5	126.7998	0.446	10	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|C<3>}	125.7420	0.000	1	126.5676	0.326	5	126.7998	0.446	10	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.7470	0.721	2	126.7470	0.520	2	126.7998	0.446	10	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.3050	1.157	2	127.3050	1.338	2	126.7998	0.446	10	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.0560	0.000	1	127.0560	0.000	1	126.7998	0.446	10	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	127.7260	0.000	1	127.7260	0.000	1	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	128.3880	0.148	2	128.3880	0.022	2	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	127.0177	0.212	3	127.0177	0.045	3	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	128.6160	0.123	2	128.6160	0.015	2	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.8560	0.332	2	128.8560	0.110	2	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.7223	0.266	7	128.7223	0.071	7	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.7720	0.216	2	128.7720	0.047	2	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCI)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCI)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.5280	0.000	1	128.5280	0.000	1	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.7190	0.000	1	129.7190	0.000	1	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.6750	0.000	1	128.6750	0.000	1	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.2715	0.540	2	129.2715	0.291	2	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.8150	0.000	1	128.8150	0.000	1	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.3822	0.616	9	129.3822	0.379	9	128.7594	0.592	34	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	127.0540	0.000	1	127.0540	0.000	1	127.0540	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCO)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCO)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	126.4530	0.448	2	126.4530	0.201	2	126.4320	0.102	3	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	126.3900	0.000	1	126.3900	0.000	1	126.4320	0.102	3	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.4005	0.054	2	128.4005	0.003	2	128.4005	0.003	2	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.6660	0.000	1	128.6660	0.000	1	128.6660	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	127.5250	0.000	1	127.5250	0.000	1	128.6600	0.451	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.2490	0.000	1	129.2490	0.000	1	128.6600	0.451	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.8420	0.184	3	128.8420	0.034	3	128.6600	0.451	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.1835	0.795	2	126.0353	0.382	3	126.0353	0.382	3	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|C<3>}	125.7390	0.000	1	126.0353	0.382	3	126.0353	0.382	3	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	131.2920	0.000	1	131.2920	0.000	1	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.0788	0.777	6	130.0788	0.604	6	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	128.0352	1.046	21	127.9820	0.794	38	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	126.8880	0.000	1	127.9820	0.794	38	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	127.9806	0.646	16	127.9820	0.794	38	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|H<1>}	128.9935	0.581	2	128.9935	0.337	2	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	128.8260	0.000	1	128.8260	0.000	1	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.8820	0.561	2	128.8820	0.315	2	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	129.0500	0.000	1	129.0500	0.000	1	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	129.0677	0.785	16	128.9183	0.441	46	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.8385	0.589	30	128.9183	0.441	46	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.9948	0.468	8	128.9625	0.639	73	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.7035	0.547	10	128.9625	0.639	73	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.8231	0.807	55	128.9625	0.639	73	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	129.0730	1.161	3	128.9863	0.394	9	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	129.3000	0.000	1	128.9863	0.394	9	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,2|C<3>}	129.0290	0.000	1	128.9863	0.394	9	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	128.8322	0.280	4	128.9863	0.394	9	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|O<2>}	128.3750	0.000	1	128.3750	0.000	1	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	127.7560	0.000	1	128.8997	1.525	3	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	130.2090	0.000	1	128.8997	1.525	3	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){2|C<3>}	128.7340	0.000	1	128.8997	1.525	3	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	129.8020	0.890	2	129.1978	0.721	5	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	128.7950	0.662	3	129.1978	0.721	5	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	128.5900	0.000	1	128.5900	0.000	1	128.8029	0.817	189	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	131.3460	0.000	1	131.3460	0.000	1	130.3770	0.696	6	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	130.0130	0.000	1	130.0130	0.000	1	130.3770	0.696	6	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	130.2258	0.879	4	130.2258	0.772	4	130.3770	0.696	6	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O){1|H<1>}	126.4230	0.000	1	126.4230	0.000	1	126.4230	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN){2|Br<1>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(Br){1|Br<1>}	130.0600	1.950	3	130.0600	3.802	3	130.0600	3.802	3	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl){1|N<3>}	129.9840	0.000	1	129.9840	0.000	1	129.9840	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.5410	0.000	1	128.5410	0.000	1	128.0895	0.219	4	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|N<3>}	127.6890	0.000	1	127.6890	0.000	1	128.0895	0.219	4	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.0640	0.540	2	128.0640	0.292	2	128.0895	0.219	4	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|N<3>}	128.5400	0.000	1	128.5400	0.000	1	128.5400	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.4095	0.185	2	128.4095	0.034	2	128.4095	0.034	2	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	127.8680	0.000	1	127.8680	0.000	1	128.3250	3.035	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.7980	0.000	1	126.7980	0.000	1	128.3250	3.035	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	126.8160	0.000	1	126.8160	0.000	1	128.3250	3.035	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	130.0715	1.105	2	130.0715	1.221	2	128.3250	3.035	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]S[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]S[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	121.5090	0.000	1	121.5090	0.000	1	121.5090	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN)	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN){2|C<3>}	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|C<3>,1|C<4>,1|N<2>}	123.4906	0.908	5	123.4906	0.825	5	123.4906	0.825	5	128.5049	2.014	305	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC){2|C<3>}	128.1040	0.659	2	128.1040	0.434	2	128.1542	0.150	4	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	128.2045	0.080	2	128.2045	0.006	2	128.1542	0.150	4	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	127.1190	0.000	1	127.9790	0.447	4	127.9790	0.447	4	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	128.2657	0.422	3	127.9790	0.447	4	127.9790	0.447	4	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	130.7790	0.000	1	130.7790	0.000	1	131.4137	0.446	3	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	131.7310	0.536	2	131.7310	0.287	2	131.4137	0.446	3	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	131.0400	0.000	1	131.0400	0.000	1	131.0400	0.000	1	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	131.0445	1.617	2	131.0445	2.615	2	131.0445	2.615	2	129.4216	3.065	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	132.0540	0.000	1	132.0540	0.000	1	132.0540	0.000	1	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	128.1060	0.000	1	128.1060	0.000	1	128.1060	0.000	1	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	130.2780	0.000	1	130.2780	0.000	1	129.6690	0.194	6	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO){1|C<3>}	129.1730	0.000	1	129.1730	0.000	1	129.6690	0.194	6	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	129.5040	0.250	3	129.5040	0.063	3	129.6690	0.194	6	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	130.0510	0.000	1	130.0510	0.000	1	129.6690	0.194	6	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.5270	0.000	1	128.5270	0.000	1	128.5270	0.000	1	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	129.8290	0.000	1	129.8290	0.000	1	129.8290	0.000	1	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	129.2343	0.314	4	129.2343	0.099	4	129.5178	0.592	21	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	129.4534	0.847	9	129.4534	0.718	9	129.5178	0.592	21	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	129.7319	0.851	8	129.7319	0.724	8	129.5178	0.592	21	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	129.0210	0.000	1	129.0210	0.000	1	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,3|H<1>}	129.1200	0.000	1	129.1200	0.000	1	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	128.1420	0.000	1	128.1420	0.000	1	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	130.2513	0.436	3	130.1697	1.062	9	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	128.9310	0.000	1	130.1697	1.062	9	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	130.3684	1.262	5	130.1697	1.062	9	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	129.7967	0.477	3	129.7967	0.228	3	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	129.6490	0.000	1	129.6490	0.000	1	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<6>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	128.4830	0.000	1	128.4830	0.000	1	129.7254	0.979	17	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHO){1|C<3>}	129.4700	0.000	1	129.4700	0.000	1	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	129.9302	0.504	17	129.9302	0.254	17	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO){2|C<3>}	131.0955	0.176	2	131.0955	0.031	2	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C){2|C<3>}	129.4110	0.000	1	129.4110	0.000	1	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO){2|C<3>}	131.5300	0.000	1	131.5300	0.000	1	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO){2|C<3>}	129.4580	0.000	1	129.4580	0.000	1	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO){2|C<3>}	130.9490	0.000	1	130.9490	0.000	1	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	128.8380	0.000	1	128.8380	0.000	1	130.0264	0.503	25	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH){1|H<1>}	128.5110	0.000	1	128.5110	0.000	1	128.6527	0.343	3	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS){2|C<3>}	129.2960	0.000	1	129.2960	0.000	1	128.6527	0.343	3	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NHH)	128.1510	0.000	1	128.1510	0.000	1	128.6527	0.343	3	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5]-3:	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	129.0762	0.630	4	129.0762	0.397	4	129.0762	0.397	4	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,4|C<3>}	127.9080	0.000	1	127.9080	0.000	1	128.1880	0.157	2	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	128.4680	0.000	1	128.4680	0.000	1	128.1880	0.157	2	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|Br<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	127.7040	0.000	1	127.7040	0.000	1	127.7040	0.000	1	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NOO){1|N<3>}	129.9300	0.873	2	129.9300	0.761	2	130.5208	0.734	5	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	131.6910	0.000	1	131.6910	0.000	1	130.5208	0.734	5	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NOO)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NOO)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	130.5265	0.327	2	130.5265	0.107	2	130.5208	0.734	5	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){2|C<3>,2|H<1>}	130.7780	0.000	1	130.7780	0.000	1	130.7780	0.000	1	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	129.2435	0.064	2	129.2435	0.004	2	129.2435	0.004	2	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2){1|H<1>}	127.9315	1.109	2	127.9315	1.231	2	127.9315	1.231	2	129.6395	0.912	93	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.9440	0.602	2	127.9440	0.363	2	128.9444	1.011	5	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	129.6113	0.416	3	129.6113	0.173	3	128.9444	1.011	5	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.7410	0.682	3	128.7410	0.466	3	128.5306	0.370	5	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.2150	0.464	2	128.2150	0.215	2	128.5306	0.370	5	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	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>}	127.3115	0.206	2	127.3115	0.042	2	127.0877	0.438	10	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	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>}	127.1103	0.374	6	127.1103	0.140	6	127.0877	0.438	10	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	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>}	126.7960	1.710	2	126.7960	2.923	2	127.0877	0.438	10	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.2380	0.000	1	128.2380	0.000	1	127.8963	2.189	6	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	126.2640	0.000	1	126.2640	0.000	1	127.8963	2.189	6	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	126.4780	0.000	1	126.8585	0.290	2	127.8963	2.189	6	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.2390	0.000	1	126.8585	0.290	2	127.8963	2.189	6	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	129.4160	0.000	1	129.4160	0.000	1	127.8963	2.189	6	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	129.7430	0.000	1	129.7430	0.000	1	127.8963	2.189	6	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.7900	0.000	1	128.7900	0.000	1	128.7900	0.000	1	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.0140	0.468	2	129.0140	0.219	2	129.0677	0.118	3	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.1750	0.000	1	129.1750	0.000	1	129.0677	0.118	3	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	131.7930	0.000	2	131.7930	0.000	2	131.7930	0.000	2	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	128.7547	1.353	3	128.7547	1.832	3	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.6078	0.254	8	128.6078	0.064	8	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN){2|C<3>}	130.8690	0.000	1	130.8690	0.000	1	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO){2|C<3>}	130.8310	0.724	2	130.8310	0.524	2	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	130.9750	0.000	1	130.9750	0.000	1	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	133.4140	0.000	1	133.4140	0.000	1	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	129.4600	0.449	9	129.4600	0.201	9	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	127.9200	0.000	1	127.9200	0.000	1	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	129.5985	0.446	2	129.5985	0.199	2	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	129.6990	0.000	1	129.6990	0.000	1	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	130.6060	0.000	1	130.6060	0.000	1	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	129.6440	0.637	3	129.6440	0.406	3	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	128.7085	0.330	2	128.7085	0.109	2	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	129.8010	0.000	1	129.8010	0.000	1	129.4655	1.242	36	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:P[6]-4:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2C)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<2>,1|C<4>,2|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2C){1|Fe<10>,2|C<4>,2|P<4>}	131.8640	0.000	1	131.8640	0.000	1	131.2690	0.708	2	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:P[6]-4:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2F)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|F<1>,2|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2F){1|Fe<10>,2|C<4>,2|P<4>}	130.6740	0.000	1	130.6740	0.000	1	131.2690	0.708	2	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	127.2820	0.000	1	127.2820	0.000	1	128.5615	3.274	2	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.8410	0.000	1	129.8410	0.000	1	128.5615	3.274	2	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.2347	0.446	3	129.2347	0.199	3	129.2347	0.199	3	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	128.5810	0.207	3	128.5810	0.043	3	128.6886	0.116	5	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	128.8500	0.539	2	128.8500	0.290	2	128.6886	0.116	5	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Ru)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Ru){1|H<1>}	128.9590	1.027	2	128.9590	1.054	2	127.9960	1.645	4	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se){1|H<1>}	127.0330	0.414	2	127.0330	0.172	2	127.9960	1.645	4	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.5395	0.807	2	128.5395	0.651	2	129.1743	1.535	3	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	130.4440	0.000	1	130.4440	0.000	1	129.1743	1.535	3	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	129.2290	0.000	1	129.2290	0.000	1	129.2290	0.000	1	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(N[5a]C[5a]O[5a])(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	C(N[5a]C[5a]O[5a])(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3){1|O<1>}	132.8250	0.000	1	132.8250	0.000	1	132.8250	0.000	1	128.9701	1.994	89	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:3:6:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:S-6:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	134.4900	0.000	1	134.4900	0.000	1	134.4900	0.000	1	134.4900	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	131.3630	0.000	1	131.3630	0.000	1	131.6495	0.164	2	131.6495	0.164	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	131.9360	0.000	1	131.9360	0.000	1	131.6495	0.164	2	131.6495	0.164	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:4:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	130.2785	1.172	2	130.6580	1.118	3	130.6580	1.118	3	130.6580	1.118	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	3:4:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C){1|F<1>,2|C<4>,2|H<1>,2|N<2>}	131.4170	0.000	1	130.6580	1.118	3	130.6580	1.118	3	130.6580	1.118	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	130.9740	0.000	1	130.9740	0.000	1	130.9740	0.000	1	132.6817	1.399	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	133.0315	0.138	2	133.2510	0.154	3	133.2510	0.154	3	132.6817	1.399	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<4>,2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<4>,4|H<1>}	133.6900	0.000	1	133.2510	0.154	3	133.2510	0.154	3	132.6817	1.399	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	P[6]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>,2|P<4>}	131.9880	0.000	1	131.8397	0.206	3	131.8397	0.206	3	131.8397	0.206	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	P[6]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|P<4>}	131.7655	0.616	2	131.8397	0.206	3	131.8397	0.206	3	131.8397	0.206	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:O-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.8570	0.000	1	130.8570	0.000	1	130.3630	0.488	2	130.9555	0.903	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:O-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.8690	0.000	1	129.8690	0.000	1	130.3630	0.488	2	130.9555	0.903	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:S-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	131.6143	0.836	3	131.6143	0.698	3	131.2517	0.991	4	130.9555	0.903	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:2:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:S-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.1640	0.000	1	130.1640	0.000	1	131.2517	0.991	4	130.9555	0.903	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.9250	0.000	1	130.9250	0.000	1	131.9166	0.488	5	131.2533	1.181	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	132.1645	0.491	4	132.1645	0.241	4	131.9166	0.488	5	131.2533	1.181	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.6950	0.000	1	129.6950	0.000	1	129.6950	0.000	1	131.2533	1.181	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.3740	0.373	2	130.3740	0.139	2	130.3740	0.139	2	131.2533	1.181	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	125.5140	0.000	1	125.5140	0.000	1	125.5140	0.000	1	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	130.2000	0.000	1	130.2000	0.000	1	130.2000	0.000	1	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	C(N[5a]C[5a]N[5a])(NOO)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	130.4655	0.306	2	130.4655	0.094	2	130.4655	0.094	2	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.0810	1.265	7	128.0810	1.601	7	128.0810	1.601	7	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.9285	0.535	2	129.9285	0.287	2	129.9285	0.287	2	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5,5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H){1|H<1>,3|C<4>}	127.8170	0.028	2	127.8170	0.001	2	127.8170	0.001	2	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	128.6142	1.790	8	128.8290	3.295	23	129.0132	3.335	26	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.9436	1.880	15	128.8290	3.295	23	129.0132	3.335	26	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.4247	1.435	3	130.4247	2.059	3	129.0132	3.335	26	128.8548	3.020	41	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	128.0830	0.000	1	128.0830	0.000	1	128.0830	0.000	1	128.0830	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H){1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	128.5450	0.000	1	128.5450	0.000	1	128.5450	0.000	1	128.0339	2.161	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	128.5215	0.571	6	128.5215	0.326	6	128.5215	0.326	6	128.0339	2.161	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,2|C<3>,2|C<4>}	124.5970	0.000	1	124.5970	0.000	1	124.5970	0.000	1	128.0339	2.161	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.4680	0.000	1	129.4680	0.000	1	127.2450	3.738	3	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	126.1335	0.252	2	126.1335	0.064	2	127.2450	3.738	3	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	130.2807	0.070	3	130.2807	0.005	3	130.2807	0.005	3	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:S-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	126.4160	0.000	1	126.4160	0.000	1	126.4160	0.000	1	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNN)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CNN)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.1535	2.314	2	129.1535	5.356	2	129.0844	2.731	10	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CNO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.8770	2.455	2	129.8770	6.027	2	129.0844	2.731	10	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CNS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.9335	0.286	2	127.9335	0.082	2	129.0844	2.731	10	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	128.9550	1.560	2	128.9550	2.433	2	129.0844	2.731	10	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(COO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.5030	2.526	2	129.5030	6.380	2	129.0844	2.731	10	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	128.1033	2.302	3	128.1033	5.300	3	127.8337	5.437	6	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	127.5640	2.841	3	127.5640	8.073	3	127.8337	5.437	6	128.5582	3.810	23	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	127.4775	0.098	2	127.4775	0.010	2	127.4775	0.010	2	127.4775	0.010	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	128.9355	0.407	2	128.9355	0.165	2	128.9355	0.165	2	128.9355	0.165	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	C(N[5a]C[5a]N[5a])(NOO)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	126.9436	1.325	5	126.9436	1.757	5	126.9436	1.757	5	126.9436	1.757	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	C(N[5a]C[5a]N[5a])(NOO)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)3	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN){1|N<3>}	124.8340	0.000	1	124.8340	0.000	1	124.8340	0.000	1	124.8340	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	C(N[5a]C[5a]N[5a])3(PCC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	C(N[5a]C[5a]N[5a])3(PCC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.1190	1.975	6	128.1190	3.900	6	128.4136	1.844	15	128.4136	1.844	15	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	C(N[5a]C[5a]N[5a])3(PC[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	C(N[5a]C[5a]N[5a])3(PC[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.6100	0.825	9	128.6100	0.681	9	128.4136	1.844	15	128.4136	1.844	15	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3)	C(N[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3){1|C<3>,3|N<3>}	C(N[5a]C[5a]N[5a])(NOO)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	135.3905	0.419	4	135.3905	0.176	4	135.3905	0.176	4	135.3905	0.176	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	128.0850	0.000	1	128.0850	0.000	1	127.9445	0.039	2	127.9445	0.039	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.8040	0.000	1	127.8040	0.000	1	127.9445	0.039	2	127.9445	0.039	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	124.8050	0.000	1	124.8050	0.000	1	124.8050	0.000	1	127.9837	6.947	79	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	123.8430	0.000	1	123.8430	0.000	1	123.8430	0.000	1	127.9837	6.947	79	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	129.6515	0.233	2	129.6515	0.054	2	129.6515	0.054	2	127.9837	6.947	79	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	C(N[5a]C[5a]N[5a])3(CHHO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	C(N[5a]C[5a]N[5a])3(CHHO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.0820	2.662	72	128.0820	7.089	72	128.0820	7.089	72	127.9837	6.947	79	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	C(N[5a]C[5a]N[5a])3(SO3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])3(SO3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	126.9533	0.947	3	126.9533	0.897	3	126.9533	0.897	3	127.9837	6.947	79	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	131.2010	0.000	1	131.2010	0.000	1	131.3165	0.027	2	131.3165	0.027	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	131.4320	0.000	1	131.4320	0.000	1	131.3165	0.027	2	131.3165	0.027	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	129.4830	0.000	1	129.4830	0.000	1	129.4830	0.000	1	129.4830	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	130.9500	0.000	1	130.9500	0.000	1	130.9500	0.000	1	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I){1|H<1>,2|C<3>}	127.1830	0.000	1	127.1830	0.000	1	127.1830	0.000	1	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br){2|C<3>}	127.7310	0.000	1	127.7310	0.000	1	127.7310	0.000	1	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	126.5720	0.054	2	126.5720	0.003	2	129.0058	4.855	6	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	130.9540	0.207	3	130.9540	0.043	3	129.0058	4.855	6	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.0290	0.000	1	128.0290	0.000	1	129.0058	4.855	6	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	126.0800	0.000	1	126.0800	0.000	1	126.0800	0.000	1	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	128.2695	2.232	2	128.2695	4.983	2	128.2695	4.983	2	128.5432	4.097	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	130.4720	0.000	1	130.4720	0.000	1	130.4720	0.000	1	130.4720	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	125.4165	0.033	2	125.4165	0.001	2	125.4165	0.001	2	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.5030	0.000	1	127.5030	0.000	1	128.7213	2.274	3	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	128.2530	0.000	1	128.2530	0.000	1	128.7213	2.274	3	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	130.4080	0.000	1	130.4080	0.000	1	128.7213	2.274	3	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	131.7440	1.418	2	131.7440	2.012	2	130.3413	6.908	3	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.5360	0.000	1	127.5360	0.000	1	130.3413	6.908	3	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	126.9165	1.525	2	126.9165	2.326	2	128.0422	4.610	12	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.0245	0.920	2	127.0245	0.846	2	128.0422	4.610	12	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	130.0520	5.381	2	130.0520	28.956	2	128.0422	4.610	12	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.9275	0.079	4	127.9275	0.006	4	128.0422	4.610	12	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CHHO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CHHO)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.4055	2.358	2	128.4055	5.561	2	128.0422	4.610	12	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	134.7350	5.146	2	134.7350	26.485	2	135.2360	13.767	4	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	135.7370	3.717	2	135.7370	13.813	2	135.2360	13.767	4	129.3947	13.240	24	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|H<1>,3|C<4>}	131.6520	0.000	1	131.6520	0.000	1	131.6520	0.000	1	131.1615	0.481	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	130.6710	0.000	1	130.6710	0.000	1	130.6710	0.000	1	131.1615	0.481	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:C-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.4310	0.000	1	129.4310	0.000	1	129.4310	0.000	1	129.4310	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.8236	0.649	5	129.8236	0.421	5	129.8236	0.421	5	126.6285	11.804	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:C-4:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	126.6285	11.804	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC)	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	123.1347	0.476	4	123.1347	0.226	4	123.1347	0.226	4	126.6285	11.804	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCCO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.6830	0.000	1	129.6830	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.3393	0.817	18	130.3393	0.667	18	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHS)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	128.9870	0.317	2	128.9870	0.100	2	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.6280	0.600	2	129.6280	0.360	2	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.0350	0.000	1	130.0350	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	127.8080	0.000	1	127.8080	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	128.9511	0.780	36	128.9511	0.608	36	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.8536	0.658	5	129.8536	0.433	5	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	129.4285	0.972	2	129.4285	0.945	2	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.7300	0.000	1	129.7300	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	129.2010	0.000	1	129.2010	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.1748	0.535	6	130.1748	0.287	6	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.2527	0.689	4	130.2527	0.475	4	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.1270	0.000	1	130.1270	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	129.7210	0.000	1	129.7210	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	131.8830	0.000	1	131.8830	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.2120	0.000	1	130.2120	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.7240	0.000	1	130.7240	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.3970	0.000	1	130.3970	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	129.4710	0.000	1	129.4710	0.000	1	129.5949	0.928	87	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-1:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(S)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(S)	129.6320	0.000	1	129.6320	0.000	1	129.6320	0.000	1	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	126.3820	0.000	1	126.3820	0.000	1	126.3820	0.000	1	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH){1|S<2>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O){1|S<2>}	124.1457	0.490	4	124.1457	0.240	4	124.1457	0.240	4	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	129.3730	0.000	1	129.3730	0.000	1	125.0770	38.922	3	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	122.9290	7.082	2	122.9290	50.160	2	125.0770	38.922	3	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	130.4330	0.000	1	130.4330	0.000	1	130.4330	0.000	1	129.2063	3.487	97	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	129.3957	0.872	7	129.3957	0.761	7	129.3957	0.761	7	129.5246	0.562	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|C<3>}	130.0240	0.000	1	130.0240	0.000	1	129.8253	0.052	3	129.5246	0.562	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|H<1>}	129.8760	0.000	1	129.8760	0.000	1	129.8253	0.052	3	129.5246	0.562	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPt)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPt)	129.5760	0.000	1	129.5760	0.000	1	129.8253	0.052	3	129.5246	0.562	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	130.3483	0.647	3	130.3483	0.418	3	130.3483	0.418	3	131.0138	2.827	13	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	134.4060	0.000	1	134.4060	0.000	1	130.8688	2.584	9	131.0138	2.827	13	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	130.4266	0.971	8	130.4266	0.943	8	130.8688	2.584	9	131.0138	2.827	13	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH){2|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	134.3150	0.000	1	134.3150	0.000	1	134.3150	0.000	1	131.0138	2.827	13	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	130.3645	1.090	2	130.3645	1.187	2	130.0590	0.874	3	129.6040	0.860	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	129.4480	0.000	1	129.4480	0.000	1	130.0590	0.874	3	129.6040	0.860	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu){1|H<1>}	129.4605	0.853	2	129.4605	0.728	2	129.4605	0.728	2	129.6040	0.860	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	128.5260	0.000	1	128.5260	0.000	1	128.5260	0.000	1	129.6040	0.860	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF){1|Br<1>,1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H){1|H<1>}	127.7860	1.677	2	127.7860	2.813	2	128.4455	2.272	6	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CFFO)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CFFO)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.9970	0.000	1	128.9970	0.000	1	128.4455	2.272	6	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CFFS)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CFFS)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	126.5200	0.000	1	126.5200	0.000	1	128.4455	2.272	6	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.7920	0.192	2	129.7920	0.037	2	128.4455	2.272	6	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CFFO)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CFFO)(F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	129.0310	0.000	1	129.0310	0.000	1	129.0310	0.000	1	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl){1|H<1>,2|C<3>}	128.4260	0.000	1	128.4260	0.000	1	128.4260	0.000	1	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.3340	0.000	1	126.3340	0.000	1	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	126.9850	0.027	2	126.9721	0.050	9	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|S<2>,2|N<2>}	127.0085	0.449	2	126.9721	0.050	9	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|C<3>,1|O<1>,1|O<2>}	126.8590	0.000	1	126.9721	0.050	9	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.9758	0.247	4	126.9721	0.050	9	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.0810	0.000	1	126.0810	0.000	1	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.2450	0.000	1	127.2450	0.000	1	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	127.4790	0.000	1	127.4790	0.000	1	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.4700	0.000	1	126.4700	0.000	1	126.8827	0.160	14	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	128.2145	0.638	4	128.3070	0.348	5	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.6770	0.000	1	128.3070	0.348	5	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	128.3310	0.000	1	128.3310	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	125.7920	0.000	1	125.7920	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	127.5720	0.522	2	127.5720	0.272	2	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	127.3200	0.000	1	127.3200	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	128.4300	0.000	1	128.4300	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.4260	1.044	3	128.4260	1.090	3	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	128.0430	0.342	2	128.0430	0.117	2	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	119.0850	0.345	2	119.0850	0.119	2	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	127.2480	0.000	1	127.2480	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	127.3880	0.000	1	127.3880	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.2445	0.467	2	128.2445	0.218	2	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(COPP)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	130.2600	0.000	1	130.2600	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CC3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	127.6330	0.000	1	127.6330	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	128.5643	0.714	3	129.2782	0.869	10	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.5841	0.877	7	129.2782	0.869	10	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.4795	0.115	2	128.8250	0.961	33	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.7828	0.997	31	128.8250	0.961	33	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	127.7560	0.000	1	127.7560	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){2|C<3>}	128.2205	0.183	2	128.2205	0.034	2	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	130.0900	0.121	3	130.0900	0.015	3	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.8590	0.000	1	129.8590	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	130.7235	1.460	2	130.7235	2.132	2	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	131.3360	0.000	1	131.3360	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	127.5650	0.000	1	127.5650	0.000	1	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.3997	0.833	3	128.3997	0.693	3	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	127.6070	0.000	1	128.1877	0.196	4	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.3813	0.264	3	128.1877	0.196	4	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.3000	0.000	1	128.7083	0.771	7	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.6097	0.918	6	128.7083	0.771	7	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	127.8075	1.737	2	127.8075	3.018	2	128.4926	3.118	94	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	130.2850	0.700	2	130.2850	0.490	2	129.6163	1.635	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|I<1>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	129.1720	0.000	1	129.1720	0.000	1	129.6163	1.635	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	129.7930	0.000	1	129.7930	0.000	1	129.6163	1.635	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	130.6780	0.000	1	130.6780	0.000	1	129.6163	1.635	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	129.0835	1.752	4	129.0835	3.069	4	129.6163	1.635	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O){1|H<1>,2|C<3>}	124.9503	0.451	3	124.9503	0.203	3	124.9503	0.203	3	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	129.2220	0.000	1	129.2220	0.000	1	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.4250	0.325	2	129.2422	0.693	5	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.1203	1.130	3	129.2422	0.693	5	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.2770	1.389	2	129.2770	1.929	2	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.7360	0.000	1	128.7360	0.000	1	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	130.5590	0.000	1	130.5590	0.000	1	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.5560	0.000	1	128.5560	0.000	1	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	128.5360	0.000	1	128.5360	0.000	1	129.1978	0.695	12	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.1510	1.094	3	129.1510	1.197	3	129.1574	0.485	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	129.3180	0.489	4	129.3180	0.239	4	129.1574	0.485	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	129.3310	0.000	1	128.8460	0.470	2	129.1574	0.485	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	128.3610	0.000	1	128.8460	0.470	2	129.1574	0.485	9	128.4361	2.862	149	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC){1|H<1>,2|C<3>}	126.2350	0.000	1	126.2350	0.000	1	126.2350	0.000	1	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<2>}	C(N[5a]C[5a]N[5a])(CN3)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	129.6400	0.000	1	129.6400	0.000	1	129.6400	0.000	1	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|N<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<2>}	128.7790	0.000	1	127.4005	3.801	2	127.4005	3.801	2	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<3>}	126.0220	0.000	1	127.4005	3.801	2	127.4005	3.801	2	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>,1|S<2>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	132.0110	0.000	1	132.0110	0.000	1	131.4310	0.547	3	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|N<2>,2|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	131.1410	0.768	2	131.1410	0.590	2	131.4310	0.547	3	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OCu)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OCu){1|C<4>}	127.7720	0.000	1	127.7720	0.000	1	127.5782	0.395	4	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(OH){1|C<3>}	128.1750	0.000	1	128.1750	0.000	1	127.5782	0.395	4	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]C[5a]O)(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|O<2>}	C(N[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]C[5a]O)(N[5a]N[5a]C)(OH){1|C<4>}	127.1830	0.692	2	127.1830	0.478	2	127.5782	0.395	4	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	129.7680	0.000	1	129.7680	0.000	1	130.1917	12.444	3	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	130.4035	4.962	2	130.4035	24.619	2	130.1917	12.444	3	128.9898	5.709	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|S<2>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	128.5960	0.000	1	128.5960	0.000	1	128.5960	0.000	1	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH){1|N<2>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,4|C<3>}	130.0320	0.000	1	130.0320	0.000	1	130.0320	0.000	1	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHS)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH){2|C<4>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHS){1|C<4>,1|N<4>,2|H<1>}	129.3130	0.000	1	129.3130	0.000	1	129.3130	0.000	1	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<3>,1|N<3>,1|P<4>}	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	128.2055	0.354	2	128.2055	0.126	2	128.9977	0.637	6	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	129.7425	0.255	2	129.7425	0.065	2	128.9977	0.637	6	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	129.0450	0.792	2	129.0450	0.627	2	128.9977	0.637	6	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	131.0340	0.000	1	131.0340	0.000	1	131.0062	1.691	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	129.5640	0.000	1	129.5640	0.000	1	131.0062	1.691	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	129.8420	0.000	1	129.8420	0.000	1	131.0062	1.691	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	132.2955	0.059	2	132.2955	0.003	2	131.0062	1.691	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	130.2690	0.000	1	129.8570	0.339	2	129.6002	0.229	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<4>}	129.4450	0.000	1	129.8570	0.339	2	129.6002	0.229	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO){1|C<4>}	129.3055	0.515	2	129.3055	0.266	2	129.6002	0.229	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO){2|C<3>}	129.6760	0.000	1	129.6760	0.000	1	129.6002	0.229	5	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH){1|H<1>}	127.4300	0.000	1	127.4300	0.000	1	130.4307	3.817	7	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|Cl<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO){1|N<3>}	131.9665	0.388	2	131.9665	0.151	2	130.4307	3.817	7	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NC[5a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|I<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NC[5a]H){1|I<1>}	129.6395	2.497	2	129.6395	6.234	2	130.4307	3.817	7	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	131.1865	0.636	2	131.1865	0.404	2	130.4307	3.817	7	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	129.8240	0.000	1	129.8240	0.000	1	129.8240	0.000	1	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	127.4330	0.000	1	127.4330	0.000	1	128.8565	4.053	2	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH){3|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	130.2800	0.000	1	130.2800	0.000	1	128.8565	4.053	2	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	131.2245	0.484	2	131.2245	0.235	2	131.2245	0.235	2	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH){1|C<3>,1|N<2>,1|O<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C){4|C<3>}	130.1280	0.000	1	130.1280	0.000	1	130.1280	0.000	1	129.9402	1.911	32	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	128.8180	0.146	2	128.9397	0.055	3	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.1830	0.000	1	128.9397	0.055	3	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	128.1810	0.812	2	128.1810	0.659	2	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS){1|C<4>}	129.3300	0.000	1	129.3300	0.000	1	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(CF3)(H)2	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS){1|C<4>}	129.1580	0.000	1	129.1580	0.000	1	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	132.3720	0.000	1	132.3720	0.000	1	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.6582	1.928	4	127.6582	3.718	4	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	128.5110	0.000	1	128.5657	0.009	3	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.5930	0.115	2	128.5657	0.009	3	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHP)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHP)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.6230	0.000	1	129.6230	0.000	1	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.2280	0.233	2	128.2280	0.054	2	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.6420	0.324	2	127.6420	0.105	2	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	130.4725	0.166	2	130.4725	0.028	2	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	129.4470	0.000	1	129.4470	0.000	1	128.7881	1.887	23	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[3]-4:	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H)	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H){1|C<3>,4|H<1>}	128.6480	0.000	1	128.6480	0.000	1	128.6480	0.000	1	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	128.4385	0.663	2	128.4385	0.439	2	128.4385	0.439	2	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	129.6420	0.201	2	129.6420	0.040	2	129.6420	0.040	2	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NPdCC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NPdCC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.0780	0.000	1	129.0780	0.000	1	129.0780	0.000	1	128.8280	1.563	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	130.4420	0.103	2	130.4420	0.011	2	130.4420	0.011	2	130.4420	0.011	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,3|C<3>}	132.2300	0.952	4	131.6761	1.001	7	131.7270	0.879	8	131.7270	0.879	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){4|C<3>}	130.9377	0.461	3	131.6761	1.001	7	131.7270	0.879	8	131.7270	0.879	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	132.0830	0.000	1	132.0830	0.000	1	131.7270	0.879	8	131.7270	0.879	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH){1|C<4>,1|O<2>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<4>}	131.5090	0.974	2	131.5090	0.949	2	131.5090	0.949	2	131.5090	0.949	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:O-2:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	131.5450	0.000	1	131.5450	0.000	1	130.8690	0.914	2	130.8690	0.914	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:2:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:O-2:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	130.1930	0.000	1	130.1930	0.000	1	130.8690	0.914	2	130.8690	0.914	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.6970	0.000	1	130.6970	0.000	1	130.6978	0.016	4	130.3557	0.341	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.6230	0.124	2	130.6230	0.015	2	130.6978	0.016	4	130.3557	0.341	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	130.8480	0.000	1	130.8480	0.000	1	130.6978	0.016	4	130.3557	0.341	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C[6a]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	129.6715	0.503	2	129.6715	0.253	2	129.6715	0.253	2	130.3557	0.341	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	130.5610	0.000	1	130.5610	0.000	1	130.2310	0.218	2	130.2310	0.218	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	129.9010	0.000	1	129.9010	0.000	1	130.2310	0.218	2	130.2310	0.218	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	128.5687	1.328	6	128.5687	1.765	6	128.5687	1.765	6	128.5687	1.765	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.9140	0.000	1	128.9140	0.000	1	128.9140	0.000	1	128.9140	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	132.0590	0.000	1	132.0590	0.000	1	132.0590	0.000	1	131.5720	0.474	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:3:1:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	131.0850	0.000	1	131.0850	0.000	1	131.0850	0.000	1	131.5720	0.474	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	128.4215	2.123	2	128.4215	4.509	2	128.4215	4.509	2	128.4215	4.509	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	129.1320	0.000	1	129.1320	0.000	1	129.1320	0.000	1	129.1320	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH){1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO){1|N<3>}	132.9065	0.808	2	132.9065	0.653	2	132.1047	2.255	3	132.1047	2.255	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	130.5010	0.000	1	130.5010	0.000	1	132.1047	2.255	3	132.1047	2.255	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	127.8940	0.000	1	127.8940	0.000	1	128.3290	0.378	2	129.0907	1.930	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.7640	0.000	1	128.7640	0.000	1	128.3290	0.378	2	129.0907	1.930	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	130.6140	0.000	1	130.6140	0.000	1	130.6140	0.000	1	129.0907	1.930	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	130.0470	0.000	1	130.0470	0.000	1	130.0470	0.000	1	130.0470	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	128.0500	0.000	1	128.0500	0.000	1	128.1403	0.871	4	128.4570	0.915	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	127.1530	0.000	1	127.1530	0.000	1	128.1403	0.871	4	128.4570	0.915	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	128.6790	1.024	2	128.6790	1.048	2	128.1403	0.871	4	128.4570	0.915	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	129.7070	0.000	1	129.7070	0.000	1	129.7070	0.000	1	128.4570	0.915	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2){2|C<3>}	128.4740	0.000	1	128.4740	0.000	1	128.4740	0.000	1	128.4570	0.915	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH){1|C<3>}	128.5945	1.177	2	128.5945	1.386	2	128.5945	1.386	2	128.5945	1.386	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	131.1700	0.000	1	131.1700	0.000	1	131.5925	0.357	2	131.5925	0.357	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	132.0150	0.000	1	132.0150	0.000	1	131.5925	0.357	2	131.5925	0.357	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	135.1900	0.939	3	135.1900	0.882	3	135.1900	0.882	3	135.1900	0.882	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>}	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	127.6650	0.000	1	127.6650	0.000	1	128.1885	0.548	2	126.0373	6.438	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>}	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	128.7120	0.000	1	128.7120	0.000	1	128.1885	0.548	2	126.0373	6.438	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	123.8860	0.505	2	123.8860	0.255	2	123.8860	0.255	2	126.0373	6.438	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){3|C<3>}	127.6230	0.000	1	127.6230	0.000	1	127.6230	0.000	1	127.6230	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	131.0650	0.000	1	131.0650	0.000	1	130.7363	0.409	6	131.1155	0.603	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	130.4313	0.506	4	130.6706	0.478	5	130.7363	0.409	6	131.1155	0.603	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	131.6280	0.000	1	130.6706	0.478	5	130.7363	0.409	6	131.1155	0.603	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO){1|C<3>}	131.4480	1.190	3	131.4480	1.416	3	131.4947	0.574	6	131.1155	0.603	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	131.5413	0.108	3	131.5413	0.012	3	131.4947	0.574	6	131.1155	0.603	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	132.6810	0.000	1	132.6810	0.000	1	132.9130	0.108	2	134.1709	6.246	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|S<2>,3|H<1>}	133.1450	0.000	1	133.1450	0.000	1	132.9130	0.108	2	134.1709	6.246	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	132.6550	0.000	1	132.8765	0.098	2	134.6740	8.234	5	134.1709	6.246	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	133.0980	0.000	1	132.8765	0.098	2	134.6740	8.234	5	134.1709	6.246	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	138.3110	0.000	1	137.7640	0.598	2	134.6740	8.234	5	134.1709	6.246	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	137.2170	0.000	1	137.7640	0.598	2	134.6740	8.234	5	134.1709	6.246	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:4:4:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)3	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	132.0890	0.000	1	132.0890	0.000	1	134.6740	8.234	5	134.1709	6.246	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	130.6110	0.000	1	130.6110	0.000	1	129.2570	3.667	2	129.2570	3.667	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	127.9030	0.000	1	127.9030	0.000	1	129.2570	3.667	2	129.2570	3.667	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	129.9030	0.000	1	129.9030	0.000	1	129.8530	0.005	2	129.3827	0.903	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.8030	0.000	1	129.8030	0.000	1	129.8530	0.005	2	129.3827	0.903	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	4:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	128.9125	1.348	2	128.9125	1.818	2	128.9125	1.818	2	129.3827	0.903	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,2|N<2>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	124.9280	0.000	1	126.2310	1.333	3	126.6070	1.454	4	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	126.8825	0.346	2	126.2310	1.333	3	126.6070	1.454	4	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	127.7350	0.000	1	127.7350	0.000	1	126.6070	1.454	4	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	125.1120	0.000	1	125.1120	0.000	1	126.6704	0.713	136	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	123.7960	0.000	1	123.7960	0.000	1	126.6704	0.713	136	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.1675	0.930	2	126.6571	0.624	126	126.6704	0.713	136	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.2348	0.521	10	126.6571	0.624	126	126.6704	0.713	136	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	126.6091	0.792	113	126.6571	0.624	126	126.6704	0.713	136	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.2820	0.000	1	126.6571	0.624	126	126.6704	0.713	136	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.4349	0.635	8	127.4349	0.403	8	126.6704	0.713	136	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	123.6370	0.000	1	123.6370	0.000	1	123.6370	0.000	1	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O){2|C<3>}	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3){1|Br<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|Br<1>}	128.2765	1.176	2	128.2765	1.383	2	128.2765	1.383	2	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl){1|H<1>,1|N<3>}	126.7600	0.000	1	126.7600	0.000	1	126.7600	0.000	1	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	125.4430	0.000	1	125.4430	0.000	1	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3){1|Br<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Br<1>}	126.6710	0.554	2	126.6710	0.307	2	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<2>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	127.3123	0.514	6	125.9003	2.619	14	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	124.6595	1.739	4	125.9003	2.619	14	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	125.0230	0.905	4	125.9003	2.619	14	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	124.7360	0.000	1	124.7410	0.000	2	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	124.7460	0.000	1	124.7410	0.000	2	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	127.1037	2.686	8	127.0690	6.321	9	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	126.7910	0.000	1	127.0690	6.321	9	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	124.7698	0.651	5	125.0150	1.067	8	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	124.9930	0.000	1	125.0150	1.067	8	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<2>,1|N<3>}	127.1710	0.000	1	125.0150	1.067	8	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	124.1070	0.000	1	125.0150	1.067	8	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|P<4>}	125.6973	0.469	6	125.6973	0.220	6	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|S<2>}	127.7670	0.000	1	127.7670	0.000	1	125.9666	2.850	43	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3){1|I<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|I<1>}	128.4873	2.384	3	128.4873	5.681	3	128.4873	5.681	3	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:Se-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Se)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Se){2|H<1>}	124.9710	0.000	1	124.9710	0.000	1	124.9710	0.000	1	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S){1|C<3>,1|O<1>}	122.9380	0.106	2	122.9380	0.011	2	122.9380	0.011	2	126.4681	1.706	194	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6]){2|C<3>}	126.6610	0.000	1	126.6610	0.000	1	126.6610	0.000	1	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	127.4980	0.000	1	127.4980	0.000	1	127.4980	0.000	1	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:Se-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SeHg)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SeHg){2|C<3>}	127.2387	1.365	6	127.2387	1.862	6	127.2387	1.862	6	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC){2|H<1>}	126.5197	0.485	12	126.5197	0.235	12	126.5197	0.235	12	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH){1|C<3>,1|H<1>}	122.7940	0.000	1	122.7940	0.000	1	124.9645	9.422	2	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	127.1350	0.000	1	127.1350	0.000	1	124.9645	9.422	2	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC){1|H<1>,1|N<3>}	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3){3|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<4>}	124.6520	0.000	1	124.6520	0.000	1	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|H<1>}	126.9478	0.744	5	126.9478	0.553	5	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a]){2|H<1>}	127.2235	0.240	2	127.5873	0.207	4	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|I<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a]){1|H<1>,1|I<1>}	127.9510	0.182	2	127.5873	0.207	4	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRe)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRe){2|H<1>}	126.1960	0.000	1	126.1960	0.000	1	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	127.1165	0.938	2	127.1165	0.880	2	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){1|H<1>,1|N<3>}	125.3870	0.000	1	125.3870	0.000	1	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|H<1>}	128.0630	0.000	1	128.0630	0.000	1	126.9079	1.064	15	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:Se-2:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SeSe)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SeSe){2|H<1>}	127.2307	0.635	3	127.2307	0.403	3	127.2307	0.403	3	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:S[5a]-2:N-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){1|C<3>,1|O<1>}	121.3640	0.000	1	121.3640	0.000	1	121.7955	0.372	2	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:S[5a]-2:N-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NN){1|C<3>,1|O<1>}	122.2270	0.000	1	122.2270	0.000	1	121.7955	0.372	2	126.5313	2.258	43	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	128.7280	0.000	1	128.3885	0.231	2	128.5730	0.217	3	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){1|C<3>,1|N<3>}	128.0490	0.000	1	128.3885	0.231	2	128.5730	0.217	3	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN){2|C<3>}	128.9420	0.000	1	128.9420	0.000	1	128.5730	0.217	3	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	129.3850	0.000	1	129.3850	0.000	1	129.3850	0.000	1	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	130.8950	0.000	1	129.7635	2.561	2	129.7635	2.561	2	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	128.6320	0.000	1	129.7635	2.561	2	129.7635	2.561	2	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.0580	0.062	2	126.0580	0.004	2	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	128.3690	0.000	1	128.7246	1.294	16	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	126.5685	1.132	2	128.7246	1.294	16	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	128.9810	0.253	2	128.7246	1.294	16	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	129.4387	1.655	3	128.7246	1.294	16	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	128.8557	0.536	3	128.7246	1.294	16	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.0486	0.297	5	128.7246	1.294	16	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,2|C<3>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2){4|C<3>}	130.1535	0.462	2	130.1535	0.213	2	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	129.3747	0.140	3	129.3747	0.020	3	128.7018	1.783	23	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	128.0740	0.000	1	128.0740	0.000	1	128.0740	0.000	1	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|C<3>}	127.2330	0.041	4	127.2330	0.002	4	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){2|H<1>}	127.1140	0.659	2	126.8628	0.236	4	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	126.6115	0.149	2	126.8628	0.236	4	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCN){2|H<1>}	128.4400	1.286	2	128.4400	1.653	2	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO){2|H<1>}	128.3864	0.625	14	128.3864	0.391	14	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[3]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[3]O){2|H<1>}	128.7185	0.655	4	128.7185	0.429	4	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|H<1>}	129.2980	0.000	1	129.2980	0.000	1	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){2|H<1>}	129.3370	0.000	1	129.3370	0.000	1	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN){2|H<1>}	127.9127	0.599	13	127.9127	0.358	13	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	129.1839	0.417	7	129.1839	0.174	7	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){2|H<1>}	127.9605	0.183	2	127.9605	0.034	2	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO){2|H<1>}	130.1460	0.000	1	129.4675	0.921	2	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO){1|H<1>,1|N<3>}	128.7890	0.000	1	129.4675	0.921	2	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	126.3430	0.000	1	126.3430	0.000	1	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN){1|H<1>,1|N<3>}	126.5873	0.405	3	126.5873	0.164	3	128.1430	0.924	58	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NCH){1|C<3>,1|C<4>}	126.4950	0.000	1	126.4950	0.000	1	124.4355	1.945	4	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NHH){1|C<3>,1|H<1>}	123.7490	0.299	3	123.7490	0.089	3	124.4355	1.945	4	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2){1|C<4>,1|O<1>,2|N<3>,3|H<1>}	124.9500	0.000	1	124.9500	0.000	1	124.9500	0.000	1	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:S-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SCO){2|C<3>}	127.7300	0.000	1	127.7300	0.000	1	127.7300	0.000	1	128.1443	1.942	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH){2|C<3>}	126.9040	0.000	1	126.9040	0.000	1	127.2393	0.125	3	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO){2|C<3>}	127.4070	0.284	2	127.4070	0.081	2	127.2393	0.125	3	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	126.9530	0.000	1	126.9530	0.000	1	128.5393	2.659	12	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	129.9050	0.000	1	129.9050	0.000	1	128.5393	2.659	12	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	127.2510	0.000	1	127.2510	0.000	1	128.5393	2.659	12	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	125.1070	0.000	1	125.1070	0.000	1	128.5393	2.659	12	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	127.3810	0.000	1	127.3810	0.000	1	128.5393	2.659	12	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	128.6267	0.460	3	128.6267	0.211	3	128.5393	2.659	12	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC){2|C<3>}	129.9988	0.612	4	129.9988	0.375	4	128.5393	2.659	12	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]C[5]2Fe){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	128.7800	0.000	1	128.7800	0.000	1	128.7800	0.000	1	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	127.3342	0.415	4	127.3342	0.172	4	127.3342	0.172	4	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H){2|C<3>}	127.2820	0.000	1	127.2820	0.000	1	127.2820	0.000	1	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:F-1:F-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH)	C(N[5a]C[5a]2)(F)2(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH){1|C<3>}	C(N[5a]C[5a]2)(F)2(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	129.3645	1.435	2	129.3645	2.058	2	129.3645	2.058	2	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	127.1497	0.193	4	127.1497	0.037	4	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	126.6570	0.479	2	126.6570	0.230	2	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	125.1220	0.000	1	125.1220	0.000	1	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|N<3>}	127.7550	0.000	1	127.7550	0.000	1	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O){2|H<1>}	128.6850	0.000	1	128.6850	0.000	1	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO){2|H<1>}	133.3395	0.153	4	133.3395	0.023	4	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS){2|H<1>}	127.5010	0.000	1	127.5010	0.000	1	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	127.1305	0.365	4	126.8908	0.219	6	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	126.4115	0.069	2	126.8908	0.219	6	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO){2|H<1>}	127.5684	0.582	10	127.5684	0.339	10	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	128.9545	2.437	2	128.9545	5.941	2	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|H<1>,1|N<3>}	126.3840	0.000	1	126.3840	0.000	1	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3){1|N<3>,2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	124.9870	0.145	4	124.9870	0.021	4	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|N<3>,1|S<4>}	126.5080	0.000	1	126.5080	0.000	1	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|H<1>,1|O<1>}	128.2490	0.000	1	128.2490	0.000	1	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>}	127.1575	0.548	2	127.1575	0.300	2	127.6750	4.746	41	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC){1|C<4>,1|H<1>}	130.4833	1.224	6	130.1040	1.572	8	129.7684	1.767	10	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC){2|H<1>}	128.9660	0.246	2	130.1040	1.572	8	129.7684	1.767	10	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PRuCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PRuCC){1|C<4>,1|H<1>}	128.4260	0.628	2	128.4260	0.394	2	129.7684	1.767	10	128.1173	3.894	74	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|N<3>}	124.7110	0.000	1	124.7110	0.000	1	125.1728	1.359	8	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	124.8430	0.000	1	124.6917	0.019	4	125.1728	1.359	8	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	124.6413	0.118	3	124.6917	0.019	4	125.1728	1.359	8	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){2|C<3>}	123.9190	0.000	1	123.9190	0.000	1	125.1728	1.359	8	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|S<2>}	126.9925	0.353	2	126.9925	0.125	2	125.1728	1.359	8	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](N[5a]C[5a,5a]C)2(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(H)3	C[5a](N[5a]C[5a,5a]C)2(H){2|C<3>}	122.4225	0.887	2	122.4225	0.788	2	122.4225	0.788	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6]C[5a])(H)3	C[5a](C[5a]C[5a,6,6]N)(N[5a]C[5a,6,6]C)(H)	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3){1|N<3>,4|C<4>}	C(N[5a]C[5a,6,6]C[5a])(H)3	C[5a](C[5a]C[5a,6,6]N)(N[5a]C[5a,6,6]C)(H){2|C<4>}	122.3820	0.000	1	122.3820	0.000	1	122.3820	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	123.5403	0.657	4	123.8952	0.722	10	123.8952	0.722	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	124.9300	0.000	1	123.8952	0.722	10	123.8952	0.722	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	124.5610	0.137	2	123.8952	0.722	10	123.8952	0.722	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	123.5797	1.101	3	123.8952	0.722	10	123.8952	0.722	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|N<3>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H){1|N<3>,3|C<3>}	121.9370	0.000	1	121.9370	0.000	1	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|C<4>}	124.0830	0.000	1	124.0830	0.000	1	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	123.9580	0.000	1	125.0720	1.770	4	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	123.8960	0.000	1	125.0720	1.770	4	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<4>}	126.2170	0.253	2	125.0720	1.770	4	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<2>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	123.3770	0.000	1	122.8467	0.307	3	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	122.5815	0.439	2	122.8467	0.307	3	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|I<1>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H){2|C<3>}	121.6880	0.000	1	121.6880	0.000	1	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Rh)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|Rh<6>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Rh)(N[5a]C[5a,6]C)(H){2|C<3>}	123.7430	0.000	1	123.7430	0.000	1	123.6617	2.293	11	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<2>}	127.2190	0.000	1	127.2190	0.000	1	127.2190	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H)	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H){2|B<4>}	123.7135	0.275	2	123.7135	0.076	2	123.7135	0.076	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.8870	0.000	1	124.8870	0.000	1	124.9555	0.009	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	125.0240	0.000	1	125.0240	0.000	1	124.9555	0.009	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	122.2180	0.000	2	121.1433	3.465	3	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	118.9940	0.000	1	121.1433	3.465	3	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.3020	0.000	1	122.1060	9.645	2	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	119.9100	0.000	1	122.1060	9.645	2	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]B[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]B[5a])(N[5a]C[5a,6a]C)(H){2|C<3>,2|O<2>}	126.7810	1.025	2	126.7810	1.051	2	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.8080	0.000	1	124.8080	0.000	1	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.7022	0.691	62	125.7045	0.619	115	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.9045	0.456	49	125.7045	0.619	115	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.3400	1.229	2	125.7045	0.619	115	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	122.2380	0.468	2	125.7045	0.619	115	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	126.0420	0.000	1	126.0420	0.000	1	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	125.6760	0.000	1	125.6760	0.000	1	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(H){1|N<3>,2|C<3>,2|S<2>}	125.4160	0.386	2	125.4160	0.149	2	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.1225	0.734	11	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.0700	0.000	1	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	125.7340	0.284	5	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	126.1243	0.551	4	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	125.6800	0.532	4	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	125.0550	0.936	2	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|O<2>,4|C<3>}	125.4610	0.000	1	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	125.4805	0.169	2	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){5|C<3>}	126.3870	0.236	2	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	125.3600	0.000	1	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	125.7862	0.189	4	125.8139	0.430	37	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	126.2170	0.000	1	125.7715	0.091	6	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	125.6502	0.257	4	125.7715	0.091	6	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){4|C<3>}	125.8110	0.000	1	125.7715	0.091	6	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.9170	0.000	1	125.8761	0.152	8	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	125.8637	0.626	3	125.8761	0.152	8	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	125.6445	0.244	2	125.8761	0.152	8	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|H<1>,4|C<3>}	126.1060	0.089	2	125.8761	0.152	8	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	125.7896	0.312	5	126.0210	0.091	13	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	126.1656	0.198	8	126.0210	0.091	13	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	123.6770	0.354	2	125.3842	0.980	11	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.7636	0.565	9	125.3842	0.980	11	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.2810	1.755	2	125.0847	1.656	3	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.6920	0.000	1	125.0847	1.656	3	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.8890	0.000	1	125.8890	0.000	1	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.8667	0.479	8	125.8667	0.230	8	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	126.1150	0.696	2	126.1150	0.484	2	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	127.8950	0.000	1	127.8950	0.000	1	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|N<2>}	126.7450	0.000	1	126.7450	0.000	1	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	124.8270	0.000	1	124.3735	0.707	14	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<3>}	124.8410	0.099	2	124.3735	0.707	14	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	124.3179	1.026	7	124.3735	0.707	14	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|P<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	122.9900	0.000	1	124.3735	0.707	14	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	124.6980	0.034	2	124.3735	0.707	14	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	124.1090	0.000	1	124.3735	0.707	14	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	127.1120	0.000	1	127.1120	0.000	1	125.5885	1.108	233	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]C)(O){2|C<3>}	123.0670	0.000	1	123.0670	0.000	1	123.0670	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(H){1|C<3>,1|N<2>}	124.8890	0.000	1	124.8890	0.000	1	125.2900	0.322	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(H){1|C<3>,1|N<2>}	125.6910	0.000	1	125.6910	0.000	1	125.2900	0.322	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|F<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	123.2820	0.516	2	123.6217	0.479	3	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	124.3010	0.000	1	123.6217	0.479	3	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	123.4395	0.678	2	123.8645	0.692	11	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	124.2997	0.822	6	123.8645	0.692	11	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	123.2777	0.525	3	123.8645	0.692	11	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(O){4|C<3>}	123.0375	0.439	2	123.0375	0.193	2	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){1|C<3>,1|N<2>}	124.2330	0.000	1	124.2330	0.000	1	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	123.6550	0.342	2	123.6550	0.117	2	123.7365	0.536	19	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:F-1:F-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH)	C(N[5a]C[5a]2)(F)2(H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH){1|C<3>}	C(N[5a]C[5a]2)(F)2(H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<4>,2|C<3>}	122.0505	1.064	2	122.0505	1.133	2	122.0505	1.133	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3){2|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|S<2>,2|C<3>}	124.0070	0.000	1	124.0070	0.000	1	124.0070	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5,5a]I)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(I)	N[5a](C[5a]C[5,5a]I)2(CH3){2|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(I){1|C<3>,1|I<1>,1|S<2>}	126.2255	0.153	2	126.2255	0.024	2	126.2255	0.024	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,5a]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,5a]H)2(CH3){2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	124.2395	2.623	2	124.2395	6.878	2	124.2395	6.878	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6]H)2(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	125.5800	0.000	1	125.5800	0.000	1	125.5350	0.004	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6]H)2(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]C)(H){1|H<1>,2|C<3>,2|C<4>}	125.4900	0.000	1	125.4900	0.000	1	125.5350	0.004	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3){1|B<4>,3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|B<4>,1|H<1>,2|C<3>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CH3){2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7545	0.473	2	123.7545	0.224	2	123.7545	0.224	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3){1|Br<1>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br){1|C<3>,1|H<1>}	124.5500	0.194	2	124.5500	0.038	2	126.0865	1.979	6	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3){1|Br<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br){1|Br<1>}	126.2610	1.099	2	126.2610	1.207	2	126.0865	1.979	6	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3){1|Br<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br){1|H<1>}	127.4485	0.397	2	127.4485	0.157	2	126.0865	1.979	6	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl){1|C<3>,1|H<1>}	125.8950	0.000	1	125.8950	0.000	1	126.3674	0.438	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Cl){1|C<4>}	125.3180	0.000	1	125.3180	0.000	1	126.3674	0.438	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)2(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|H<1>}	126.8510	0.276	2	126.8510	0.076	2	126.3674	0.438	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)2(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|C<3>}	126.1275	0.641	2	126.1275	0.411	2	126.3674	0.438	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)2(CH3){2|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|S<2>}	126.6260	0.653	4	126.6260	0.427	4	126.3674	0.438	10	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.1343	1.188	4	124.2102	1.087	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.5140	0.000	1	124.2102	1.087	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){2|C<3>}	121.1180	0.000	1	121.9945	1.537	2	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	122.8710	0.000	1	121.9945	1.537	2	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<3>}	122.8770	0.000	1	123.6157	2.933	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	121.6020	0.000	1	123.6157	2.933	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	124.9920	0.641	2	123.6157	2.933	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	123.2617	0.408	3	124.0760	0.637	54	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Ir<8>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>}	125.8850	0.633	3	124.0760	0.637	54	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.8818	0.628	39	124.0760	0.637	54	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	124.5860	0.503	9	124.0760	0.637	54	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.2666	0.644	17	123.2666	0.415	17	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	124.6610	0.000	1	122.8822	10.525	9	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	123.9168	0.915	5	122.8822	10.525	9	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	114.6400	0.000	1	122.8822	10.525	9	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	122.1920	0.000	1	122.8822	10.525	9	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.8630	0.000	1	122.8822	10.525	9	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.4500	0.000	1	123.6720	1.025	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.1990	0.000	1	123.6720	1.025	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|Pd<4>,1|C<3>}	124.4880	0.000	1	123.6720	1.025	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.1115	1.406	2	123.6720	1.025	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	122.5607	0.990	4	122.5607	0.980	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	121.9250	0.000	1	121.9250	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Cl<1>,1|H<1>}	126.1570	0.000	1	126.1570	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|N<3>}	125.5042	0.198	5	125.5042	0.039	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){2|N<3>}	123.5705	0.062	2	123.5705	0.004	2	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|P<4>}	123.8355	0.088	2	123.8355	0.008	2	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	124.1860	0.000	1	124.1860	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	126.8227	0.568	12	124.9644	2.537	84	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.8795	0.794	47	124.9644	2.537	84	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	124.2322	2.263	25	124.9644	2.537	84	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<3>}	124.7063	0.667	3	125.1480	0.617	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	125.8105	0.342	2	125.1480	0.617	5	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.3649	2.269	8	126.3649	5.149	8	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	126.6020	0.000	1	126.6020	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<2>}	126.1300	0.000	1	126.1300	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|Cd<4>,1|O<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|Cd<4>,1|N<3>}	123.5260	0.000	1	123.5260	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	126.6030	0.000	1	126.6030	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|O<2>}	127.2720	0.000	1	127.2720	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|P<4>}	123.4599	1.143	8	123.4599	1.306	8	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	123.9560	0.419	2	123.9560	0.175	2	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	125.9199	1.101	10	125.9199	1.212	10	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|I<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H){1|S<2>}	125.4925	0.767	2	125.4925	0.589	2	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	125.3220	0.000	1	125.3220	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	124.4020	0.000	1	124.4020	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	125.7520	0.547	2	125.6623	0.174	3	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3){1|C<6>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<6>,1|H<1>}	125.4830	0.000	1	125.6623	0.174	3	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3){1|C<6>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H){1|C<6>,2|H<1>,4|B<6>}	125.5030	0.000	1	125.5030	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.6020	0.000	1	124.9760	0.523	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	125.1007	0.832	3	124.9760	0.523	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|N<2>,2|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<3>}	123.3750	0.000	1	123.3750	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.1655	0.291	2	124.1655	0.084	2	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|Cl<1>}	126.8010	0.000	1	126.8010	0.000	1	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Se<1>}	125.9780	0.000	1	125.6880	0.155	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Se<2>}	125.5913	0.419	3	125.6880	0.155	4	124.5167	2.562	254	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3){1|I<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(I){1|I<1>}	125.5323	2.058	3	125.5323	4.236	3	126.0493	1.738	7	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)2(CH3){2|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I){1|I<1>,1|S<2>}	126.4370	0.429	4	126.4370	0.184	4	126.0493	1.738	7	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3){1|C<4>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(O){1|C<4>,1|S<1>}	124.5090	0.000	1	124.5090	0.000	1	122.0296	2.078	5	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|N<2>}	121.7790	0.044	2	121.7790	0.002	2	122.0296	2.078	5	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	121.0405	0.282	2	121.0405	0.080	2	122.0296	2.078	5	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[4,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[4,5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[4,5a]N[4,5a]C[4,5])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[4,5a]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[4,5a]N[4,5a]C[4,5])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.9960	1.435	2	123.9960	2.060	2	123.9960	2.060	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[4a,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[4a,5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[4a,5a]N[4a,5a]C[4a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[4a,5a]O)2(CH3){2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[4a,5a]N[4a,5a]C[4a])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>}	123.9710	0.000	1	123.9710	0.000	1	123.9710	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5,5a]N[5,5a]C[5,6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5,5a]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5,5a]N[5,5a]C[5,6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6,6]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a,6,6]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.1910	0.042	2	124.1910	0.002	2	124.1910	0.002	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a,6]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.5990	0.000	1	123.5990	0.000	1	124.3185	1.035	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a,6]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	125.0380	0.000	1	125.0380	0.000	1	124.3185	1.035	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O){1|C<3>,1|S<2>}	122.5780	0.206	2	122.4087	0.221	4	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O){2|C<3>}	122.2395	0.712	2	122.4087	0.221	4	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(O){1|C<4>,1|H<1>}	121.9210	0.000	1	121.9210	0.000	1	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O){2|H<1>}	123.1080	0.000	1	123.1080	0.000	1	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(O){1|C<3>,1|S<2>}	123.0565	1.189	2	123.0565	1.413	2	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>}	123.8720	0.000	1	123.8720	0.000	1	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O)	N[5a](C[5a]N[5a]O)2(CH3){1|C<3>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O){1|N<3>,1|O<1>,2|C<3>}	124.1141	0.253	8	124.1141	0.064	8	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|O<1>}	125.0030	0.585	4	125.0030	0.342	4	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)2(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	124.3108	0.807	13	124.4193	0.641	15	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)2(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|O<1>}	125.1245	0.121	2	124.4193	0.641	15	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CH3){1|C<3>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	124.0286	0.437	7	124.0286	0.191	7	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.2840	0.530	2	124.5866	0.586	15	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.2320	0.000	1	124.5866	0.586	15	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|O<1>,2|C<3>,2|H<1>}	124.8347	0.805	10	124.5866	0.586	15	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.9040	0.000	1	124.5866	0.586	15	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CH3){2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,3|C<4>}	123.7480	0.000	1	124.5866	0.586	15	124.1528	0.869	58	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:S-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(S)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|C<4>,1|O<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(S){1|N<2>,1|O<1>}	124.9080	0.000	1	124.9080	0.000	1	124.4750	0.375	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:S-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(S)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3){1|C<4>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]C)2(S){1|N<2>,1|O<1>}	124.0420	0.000	1	124.0420	0.000	1	124.4750	0.375	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<4>,1|S<2>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	127.3870	0.000	1	127.3870	0.000	1	127.3870	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3){1|C<4>,1|O<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|O<1>}	119.2400	0.199	2	119.2400	0.040	2	119.2400	0.040	2	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|H<1>,1|O<1>,3|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|O<1>}	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	124.8230	2.381	658	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){2|C<4>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC){2|C<4>}	126.2660	0.000	1	126.2660	0.000	1	126.2660	0.000	1	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC){2|C<3>}	125.7430	0.075	2	125.5557	0.108	3	125.7733	0.107	6	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC){2|C<3>}	125.1810	0.000	1	125.5557	0.108	3	125.7733	0.107	6	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN){2|C<3>}	126.0650	0.010	2	126.0650	0.000	2	125.7733	0.107	6	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|I<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CC){2|C<3>}	125.8430	0.000	1	125.8430	0.000	1	125.7733	0.107	6	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC){2|C<3>}	124.6925	0.286	2	124.6925	0.082	2	123.7554	7.746	9	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC){2|C<3>}	125.6770	0.000	1	125.6770	0.000	1	123.7554	7.746	9	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	126.6890	0.000	1	126.6890	0.000	1	123.7554	7.746	9	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS){2|C<3>}	121.0210	0.267	4	122.4096	9.694	5	123.7554	7.746	9	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS){2|C<3>}	127.9640	0.000	1	122.4096	9.694	5	123.7554	7.746	9	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|N<3>,4|C<3>}	128.3370	0.157	2	128.3370	0.025	2	128.5610	0.163	3	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|C<3>,1|O<1>,1|S<2>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	129.0090	0.000	1	129.0090	0.000	1	128.5610	0.163	3	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SC){2|C<3>}	125.9500	0.000	1	125.9500	0.000	1	127.6550	2.181	3	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS){2|C<3>}	128.5075	0.046	2	128.5075	0.002	2	127.6550	2.181	3	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	128.3577	0.504	3	128.3577	0.254	3	129.8994	1.711	9	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.6703	0.705	6	130.6703	0.496	6	129.8994	1.711	9	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3){4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC){1|N<3>,3|C<3>}	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a,6a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC)	N[5a](C[5a]C[5a,6a]C)2(CH3){2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC){1|C<2>,1|H<1>,2|C<3>}	124.7145	0.156	2	124.7145	0.024	2	124.7145	0.024	2	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC){1|H<1>}	126.2842	0.606	6	126.2842	0.367	6	125.8056	0.600	11	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC)	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC){1|C<2>,1|H<1>}	125.5035	0.810	2	125.5035	0.656	2	125.8056	0.600	11	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	N[5a](C[5a]C[5a]C)2(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){1|C<3>,1|C<4>}	125.0500	0.345	3	125.0500	0.119	3	125.8056	0.600	11	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN){1|C<3>,1|H<1>}	124.4000	0.000	1	124.4000	0.000	1	124.1007	0.722	3	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC){1|H<1>}	124.7600	0.000	1	124.7600	0.000	1	124.1007	0.722	3	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|C<4>,1|O<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a]){1|C<4>,1|S<1>}	123.1420	0.000	1	123.1420	0.000	1	124.1007	0.722	3	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	126.6380	0.000	1	126.6380	0.000	1	127.5140	2.508	8	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	128.5270	0.000	1	128.5270	0.000	1	127.5140	2.508	8	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	127.2990	2.334	3	127.8243	4.736	4	127.5140	2.508	8	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|N<2>,2|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.4000	0.000	1	127.8243	4.736	4	127.5140	2.508	8	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.8250	0.465	2	126.8250	0.216	2	127.5140	2.508	8	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	126.7975	1.015	2	126.7975	1.030	2	126.7975	1.030	2	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	126.6490	0.000	1	127.2622	0.344	6	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	127.3848	0.563	5	127.2622	0.344	6	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|N<3>,4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	127.0090	0.000	1	127.0090	0.000	1	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|N<2>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	125.9580	0.000	1	127.8135	6.886	2	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	129.6690	0.000	1	127.8135	6.886	2	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	129.0460	0.010	2	129.0460	0.000	2	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	126.1615	0.039	2	126.8637	1.480	3	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	128.2680	0.000	1	126.8637	1.480	3	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(CH3){4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<4>,3|C<3>}	126.7170	2.430	2	126.7170	5.903	2	127.3954	1.686	16	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	130.3060	0.000	1	130.3060	0.000	1	130.3060	0.000	1	126.7057	5.421	75	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2)	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3){1|H<1>,4|C<3>}	C(N[5a]C[5,5a]C[5a])(H)3	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	129.3180	0.000	1	129.3180	0.000	1	129.3180	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(COO)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(COO){1|C<4>,3|C<3>}	125.5170	0.000	1	125.5170	0.000	1	125.5170	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,6|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	124.3850	0.000	1	124.3850	0.000	1	125.6235	2.816	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	124.3680	0.000	1	126.0363	3.202	3	125.6235	2.816	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6]C[5a])(H)3	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.8705	1.493	2	126.0363	3.202	3	125.6235	2.816	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	126.0610	0.000	1	126.0610	0.000	1	126.0610	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	127.1350	0.055	2	127.1350	0.003	2	127.2394	0.011	5	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,1|N<3>,4|C<3>}	127.2865	0.022	2	127.2865	0.000	2	127.2394	0.011	5	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	127.3540	0.000	1	127.3540	0.000	1	127.2394	0.011	5	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	126.4350	0.000	1	127.7365	3.388	2	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	129.0380	0.000	1	127.7365	3.388	2	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCO)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	127.4655	0.292	2	127.4655	0.085	2	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H){2|C<3>}	126.1950	0.000	1	126.1950	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	128.2840	0.000	1	128.1400	0.138	4	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	128.0920	0.440	3	128.1400	0.138	4	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHN)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHN){2|C<3>}	127.1600	0.000	1	127.1600	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO){2|C<3>}	128.7010	0.000	1	128.7010	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CCO)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CCO){1|H<1>,1|N<3>,3|C<3>}	127.1210	0.000	1	127.1210	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCC){4|C<3>}	126.9320	0.000	1	126.9320	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	127.9410	0.000	1	127.9410	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	127.3815	0.299	2	127.3815	0.089	2	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	126.1560	0.000	1	126.1560	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN){2|C<3>}	127.3020	1.533	2	127.3020	2.350	2	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CNO){2|C<3>}	127.1950	0.000	1	127.1950	0.000	1	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO){2|C<3>}	126.2787	0.118	3	126.3384	0.031	5	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO){2|C<3>}	126.4280	0.262	2	126.3384	0.031	5	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(CNO){2|C<3>}	127.9007	0.832	6	127.9007	0.692	6	127.3815	0.829	31	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	127.0480	0.000	1	127.0480	0.000	1	127.0480	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.2860	0.000	1	121.2860	0.000	1	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.8280	0.000	1	126.9954	0.827	10	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.5473	1.122	3	126.9954	0.827	10	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.9140	0.722	6	126.9954	0.827	10	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2){1|C<4>,4|C<3>}	128.4270	0.089	2	128.4270	0.008	2	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.7200	0.000	1	127.7200	0.000	1	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.4100	1.226	2	126.4100	1.503	2	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	123.9230	0.000	1	126.9636	2.027	7	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|P<3>,4|C<3>}	126.6230	0.000	1	126.9636	2.027	7	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.6398	0.358	5	126.9636	2.027	7	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.4946	0.249	5	127.4946	0.062	5	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	127.6555	0.278	2	127.6555	0.077	2	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	128.4415	0.501	2	128.4415	0.251	2	127.0952	2.116	32	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	126.7470	0.445	2	126.7470	0.198	2	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	126.4680	0.000	1	126.4680	0.000	1	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS){1|N<3>,3|C<3>}	127.1843	0.536	3	127.1843	0.288	3	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NHS){1|S<2>,3|C<3>}	126.6440	0.000	1	126.6440	0.000	1	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	124.1670	0.000	1	126.1808	1.917	4	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	126.8520	0.415	3	126.1808	1.917	4	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	124.2785	0.128	2	124.2785	0.016	2	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	126.9960	0.000	1	126.6995	0.176	2	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	126.4030	0.000	1	126.6995	0.176	2	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	126.4580	0.000	1	126.4580	0.000	1	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(NCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	127.1840	0.132	2	127.1840	0.017	2	126.4258	1.146	18	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	126.6310	0.000	1	126.6310	0.000	1	126.6310	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	126.7370	0.000	1	126.7370	0.000	1	126.7370	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	126.9020	0.000	1	126.9020	0.000	1	127.4032	1.404	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	126.1670	0.000	1	126.1670	0.000	1	127.4032	1.404	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|N<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	128.2720	0.960	2	128.2720	0.922	2	127.4032	1.404	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,3|C<3>}	126.9540	0.000	1	126.9540	0.000	1	126.9540	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	122.7395	0.981	2	122.7395	0.962	2	122.7395	0.962	2	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3){2|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(CHO){1|C<3>,1|H<1>,1|S<2>}	124.9990	0.000	1	124.9990	0.000	1	124.9990	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	135.2670	0.000	1	135.2670	0.000	1	135.2670	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3){4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	125.4000	0.000	1	125.4000	0.000	1	125.4000	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a,6]C)2(CH3){2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(COO){1|O<1>,3|C<3>}	125.2655	0.285	2	125.2655	0.081	2	125.2655	0.081	2	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	122.5430	0.000	1	122.5430	0.000	1	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|H<1>,3|C<3>}	126.2883	0.760	3	126.2883	0.578	3	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.7640	0.000	1	125.7640	0.000	1	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	127.2400	0.000	1	127.2400	0.000	1	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	127.8670	0.000	1	127.8670	0.000	1	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	127.4120	1.001	2	127.4120	1.003	2	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	126.7370	0.619	2	126.7370	0.384	2	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|N<3>,4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	126.0890	0.000	1	126.0890	0.000	1	126.3888	2.099	12	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(N[5a]C[5a]C){2|C<3>,3|H<1>}	129.0110	0.000	1	129.0110	0.000	1	129.0110	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,6|C<3>}	124.3210	0.000	1	124.3210	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3){1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	124.6320	0.322	3	124.6320	0.104	3	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	128.7840	0.000	1	128.7840	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	127.0600	0.000	1	127.0600	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	125.7360	0.000	1	125.7360	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	125.2004	0.711	5	125.2004	0.505	5	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.6280	0.000	1	125.6280	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	126.0228	0.076	4	126.0228	0.006	4	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	127.4670	0.000	1	127.4670	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	128.3430	0.000	1	128.3430	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	128.7330	0.000	1	128.7330	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	126.7520	0.000	1	126.7520	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	128.7290	0.000	1	128.5772	0.298	4	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	128.5267	0.657	3	128.5772	0.298	4	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<3>,2|H<1>,4|C<3>}	126.5400	0.000	1	126.5400	0.000	1	126.4485	2.446	26	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW){1|C<3>,1|H<1>}	127.8190	0.000	1	127.8190	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3){1|Br<1>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|Br<1>}	127.7380	0.113	2	127.7380	0.013	2	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[5a]C){2|H<1>}	126.6500	0.000	1	126.6500	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){1|Br<1>,1|H<1>}	126.9780	0.000	1	127.3143	0.085	3	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){2|H<1>}	127.4825	0.019	2	127.3143	0.085	3	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	128.2490	0.000	1	128.2490	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH){2|H<1>}	126.2390	0.430	5	126.2390	0.185	5	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO){1|H<1>,1|N<3>}	127.5210	0.000	1	127.8431	0.205	9	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO){2|H<1>}	127.8834	0.467	8	127.8431	0.205	9	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5]H){2|H<1>}	126.9380	0.000	1	126.9380	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]H){2|H<1>}	126.9610	0.000	1	126.9610	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C){2|H<1>}	125.8820	0.000	1	125.8820	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	127.9360	0.000	1	127.9360	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	127.6245	0.329	8	127.6245	0.108	8	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){1|Br<1>,1|H<1>}	127.3740	0.000	1	127.5776	0.429	19	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){1|H<1>,1|N<3>}	127.6395	0.746	11	127.5776	0.429	19	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|H<1>}	127.5093	0.584	7	127.5776	0.429	19	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5a]H){2|H<1>}	126.7403	0.670	3	126.7403	0.449	3	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[6]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[6]O){2|H<1>}	127.0170	0.000	1	127.0170	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|H<1>,1|N<3>}	127.5678	0.440	5	127.9853	0.428	9	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){2|H<1>}	128.5072	0.479	4	127.9853	0.428	9	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW){2|H<1>}	127.1250	0.000	1	127.1250	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Ir)(N[5a]C[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Ir<8>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]Ir)(N[5a]C[5a]C)(CHN){2|H<1>}	126.7550	0.631	3	126.7550	0.398	3	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCH){1|H<1>}	125.9320	0.000	1	125.9320	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHO){1|H<1>}	128.2100	0.000	1	128.2100	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(COO){1|H<1>}	129.5710	0.612	2	129.5710	0.375	2	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	125.3374	0.690	9	125.3374	0.476	9	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){1|C<3>,1|H<1>}	126.1450	0.369	2	126.1450	0.136	2	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){1|C<4>,1|H<1>}	124.7710	0.000	1	124.7710	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C){2|C<3>}	126.2910	0.000	1	126.2910	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHN)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHN){1|C<3>}	123.2220	0.000	1	123.2220	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(CCC)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|N<2>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(CCC){1|C<3>}	124.8890	0.000	1	124.8890	0.000	1	127.1223	1.355	89	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	126.1130	0.000	1	126.1130	0.000	1	126.1130	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2){2|C<3>,4|H<1>}	126.3780	0.000	1	126.3780	0.000	1	126.3780	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS){2|H<1>}	126.2518	0.145	4	126.2518	0.021	4	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6]S)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6]S){2|H<1>}	126.1810	0.000	1	126.1810	0.000	1	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>,1|N<3>}	127.8275	0.251	2	127.8275	0.063	2	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	128.6720	0.567	4	128.7074	0.248	5	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	128.8490	0.000	1	128.7074	0.248	5	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(NOO){1|H<1>,2|C<3>}	131.1700	0.000	1	131.1700	0.000	1	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO){1|H<1>}	130.6245	0.416	4	130.6245	0.173	4	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|H<1>}	130.4140	0.000	1	130.4140	0.000	1	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>}	130.2360	0.000	1	130.2360	0.000	1	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|S<2>}	130.0460	0.000	1	130.0460	0.000	1	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)2(CH3){2|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO){2|N<3>}	126.8385	1.098	2	126.8385	1.206	2	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	128.9225	0.186	2	128.9225	0.035	2	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS){3|C<3>}	124.8160	0.000	1	124.8160	0.000	1	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	127.9490	0.158	2	127.9490	0.025	2	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|N<3>}	129.5590	0.000	1	129.5590	0.000	1	128.4478	3.147	28	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3){1|N<3>,2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2){3|C<4>,4|H<1>}	126.1810	0.107	4	126.1810	0.011	4	126.1810	0.011	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>,2|N<3>}	128.1990	0.000	1	128.1990	0.000	1	126.7318	1.891	6	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|Cu<4>,2|C<3>,3|H<1>}	126.1540	0.000	1	126.1540	0.000	1	126.7318	1.891	6	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,3|H<1>}	128.7600	0.000	1	128.7600	0.000	1	126.7318	1.891	6	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3){1|O<2>,2|H<1>,3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	125.7593	0.089	3	125.7593	0.008	3	126.7318	1.891	6	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	128.2902	1.092	4	128.2902	1.193	4	128.2902	1.193	4	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3){1|B<4>,3|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	127.6520	0.000	1	127.6520	0.000	1	127.6520	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|Cd<4>,1|O<1>}	C(N[5a]C[5a]2)(H)3	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a]C)(NHH){1|H<1>,1|O<1>}	127.7690	0.000	1	127.7690	0.000	1	127.7690	0.000	1	127.0913	2.336	282	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:B-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	126.0460	0.273	2	126.4847	0.615	3	126.4847	0.615	3	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:B-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	127.3620	0.000	1	126.4847	0.615	3	126.4847	0.615	3	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	127.1910	0.000	1	127.1910	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHS){2|C<3>}	127.5380	0.000	1	127.5380	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H){2|C<3>}	126.5800	0.000	1	126.5800	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	127.5535	1.196	2	127.5535	1.430	2	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	126.1550	0.508	14	126.1278	0.246	24	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	126.0897	0.504	10	126.1278	0.246	24	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHHS){2|C<3>}	127.1743	1.267	3	127.1743	1.604	3	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	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>}	125.7640	0.000	1	125.9061	0.478	9	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){1|C<4>,3|C<3>}	126.1832	0.516	5	125.9061	0.478	9	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	125.4917	0.960	3	125.9061	0.478	9	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CC[6a]CH)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	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>}	128.2070	0.000	1	128.2070	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	126.1800	0.000	1	126.1800	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHNO){2|C<3>}	127.5120	0.000	1	127.5120	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(CH3)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	126.1772	0.335	6	126.1772	0.112	6	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CCHH)	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>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	126.9810	0.000	1	126.9810	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){1|C<3>,1|N<3>}	123.7580	0.000	1	123.7580	0.000	1	126.3050	0.721	52	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	126.7010	0.000	1	126.7010	0.000	1	126.7010	0.000	1	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){3|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H){6|C<3>}	126.5440	0.000	1	126.5440	0.000	1	126.5270	0.001	2	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	126.5100	0.000	1	126.5100	0.000	1	126.5270	0.001	2	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O){4|C<3>}	128.5620	0.000	1	128.5620	0.000	1	128.0957	0.163	3	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O){4|C<3>}	127.8540	0.000	1	127.8540	0.000	1	128.0957	0.163	3	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO){2|C<3>}	127.8710	0.000	1	127.8710	0.000	1	128.0957	0.163	3	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Si-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC3){2|C<3>}	127.8680	0.000	1	127.8680	0.000	1	127.3281	0.180	7	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:Si-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC[6a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC[6a]CC){2|C<3>}	127.2382	0.385	6	127.2382	0.148	6	127.3281	0.180	7	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){2|H<1>}	126.8140	0.000	1	126.8140	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	126.3160	0.000	1	126.3160	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	126.6182	0.228	5	126.6182	0.052	5	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	125.4352	0.660	6	125.4352	0.436	6	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CCHH){1|H<1>}	128.3350	0.186	3	128.3350	0.035	3	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH){1|H<1>}	126.8430	0.000	1	126.8430	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH){1|H<1>,1|O<1>}	128.4640	0.000	1	128.4640	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	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>}	125.8920	0.073	3	125.8920	0.005	3	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>}	124.7440	0.000	1	124.7440	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CH3){1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<4>,1|N<2>}	125.3850	0.000	1	125.3850	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CH3){1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	124.8100	0.000	1	124.8100	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	125.0590	0.000	1	125.0590	0.000	1	126.2727	1.360	25	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	126.1610	0.000	1	126.1610	0.000	1	126.1610	0.000	1	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(PPWW)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(PPWW){2|H<1>}	127.9225	0.672	2	127.9225	0.452	2	127.7562	0.284	8	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Cu)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Cu){1|H<1>}	127.3415	0.506	2	127.3415	0.256	2	127.7562	0.284	8	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Ni)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Ni){1|H<1>}	127.4625	0.149	2	127.4625	0.022	2	127.7562	0.284	8	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Pd)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Pd){1|H<1>}	128.2985	0.313	2	128.2985	0.098	2	127.7562	0.284	8	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3){1|N<3>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|C<4>}	127.0430	0.000	1	127.0430	0.000	1	127.0430	0.000	1	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	120.6950	1.659	2	126.0366	14.275	7	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	128.1732	0.867	5	126.0366	14.275	7	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	124.2707	2.295	62	124.0334	6.170	81	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	122.5357	2.575	16	124.0334	6.170	81	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	127.1163	1.593	3	124.0334	6.170	81	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO){1|C<3>,1|O<1>}	128.0820	0.000	1	128.0820	0.000	1	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO){1|C<3>,1|O<1>}	128.3730	0.000	1	128.3730	0.000	1	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	128.9800	0.000	1	124.3305	43.236	2	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|O<1>,3|C<3>}	119.6810	0.000	1	124.3305	43.236	2	124.2835	7.475	92	125.4811	5.322	195	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	129.2675	0.708	2	129.2675	0.501	2	129.6057	0.594	3	129.3884	1.480	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	130.2820	0.000	1	130.2820	0.000	1	129.6057	0.594	3	129.3884	1.480	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[3x6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3){3|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>,3|C<4>,6|H<1>}	130.5420	0.000	1	130.5420	0.000	1	130.5420	0.000	1	129.3884	1.480	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a]){7|C<4>}	127.5830	0.000	1	127.5830	0.000	1	127.5830	0.000	1	129.3884	1.480	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	125.8465	0.685	2	126.4133	0.754	4	126.4179	0.266	12	126.7019	0.843	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	126.9800	0.713	2	126.4133	0.754	4	126.4179	0.266	12	126.7019	0.843	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)2(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	126.4202	0.307	8	126.4202	0.094	8	126.4179	0.266	12	126.7019	0.843	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,3|C<4>}	125.0570	0.000	1	125.0570	0.000	1	127.1889	1.605	7	126.7019	0.843	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	128.8560	0.000	1	128.8560	0.000	1	127.1889	1.605	7	126.7019	0.843	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|S<4>,2|C<4>,4|H<1>}	127.4528	0.748	4	127.4528	0.560	4	127.1889	1.605	7	126.7019	0.843	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C(N[5a]C[5a]2)(H)3	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a]2)(H)3	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	126.5980	0.000	1	126.5980	0.000	1	127.1889	1.605	7	126.7019	0.843	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.0625	0.687	2	127.0625	0.471	2	127.2648	0.180	5	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.3997	0.236	3	127.3997	0.056	3	127.2648	0.180	5	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	125.7650	0.000	1	125.7650	0.000	1	126.6658	3.093	9	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.8983	2.140	6	126.8983	4.581	6	126.6658	3.093	9	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.4185	0.760	2	126.4185	0.578	2	126.6658	3.093	9	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C(N[5a]C[5a]2)(CC)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	C(N[5a]C[5a]2)(CC)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|Br<1>}	126.0600	1.179	2	126.0600	1.391	2	126.0600	1.391	2	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.2660	0.000	1	126.2660	0.000	1	126.2660	0.000	1	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a]2)(OC[6])(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	C(N[5a]C[5a]2)(OC[6])(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.2560	0.601	2	126.2560	0.361	2	126.2560	0.361	2	126.6955	1.679	19	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	C(N[5a]C[5a,6]C[5a])(OC)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(OC)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP){1|C<3>,1|C<4>}	126.2650	0.000	1	126.2650	0.000	1	126.2650	0.000	1	126.2650	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH){2|C<3>}	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1	129.1875	1.262	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:S-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SCO){2|C<3>}	129.9820	0.000	1	129.9820	0.000	1	129.9820	0.000	1	129.1875	1.262	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]B[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]B[5])(N[5a]C[5a,6a]C)(H){2|C<3>,2|O<2>}	125.6405	0.999	2	125.6405	0.998	2	125.7996	1.787	7	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	128.2550	0.000	1	128.2550	0.000	1	125.7996	1.787	7	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	124.5415	0.378	2	124.5415	0.143	2	125.7996	1.787	7	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.9890	0.516	2	125.9890	0.266	2	125.7996	1.787	7	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	116.4410	0.000	1	116.4410	0.000	1	122.7744	3.270	16	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	123.7343	0.545	3	123.7343	0.297	3	122.7744	3.270	16	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	122.5320	0.000	1	122.8941	0.274	10	122.7744	3.270	16	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.9343	0.539	9	122.8941	0.274	10	122.7744	3.270	16	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	123.4470	0.000	1	123.9030	0.416	2	122.7744	3.270	16	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	124.3590	0.000	1	123.9030	0.416	2	122.7744	3.270	16	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	124.3710	0.806	2	124.3710	0.650	2	125.0090	0.760	4	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.6210	0.000	1	125.6470	0.001	2	125.0090	0.760	4	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.6730	0.000	1	125.6470	0.001	2	125.0090	0.760	4	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	123.9463	0.653	3	123.9463	0.427	3	123.2816	1.110	5	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO){1|C<3>,1|C<4>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|N<2>}	122.2845	0.520	2	122.2845	0.270	2	123.2816	1.110	5	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS)	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.3060	0.236	2	122.3060	0.056	2	122.3060	0.056	2	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C(N[5a]C[5a]2)(CC)(H)2	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	C(N[5a]C[5a]2)(CC)(H)2	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br){1|Br<1>}	127.3000	0.905	2	127.3000	0.819	2	127.3000	0.819	2	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.4230	0.000	1	126.4230	0.000	1	125.4045	2.075	2	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.3860	0.000	1	124.3860	0.000	1	125.4045	2.075	2	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO)	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO){1|Br<1>,1|H<1>}	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br){1|C<3>,1|H<1>}	126.6930	0.000	1	126.6930	0.000	1	126.6930	0.000	1	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	121.8270	0.000	1	121.8270	0.000	1	124.4327	3.530	4	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	C(N[5a]C[5a]2)(OC[6])(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	C(N[5a]C[5a]2)(OC[6])(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	125.5940	1.011	2	125.5940	1.022	2	124.4327	3.530	4	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){3|C<3>}	124.7160	0.000	1	124.7160	0.000	1	124.4327	3.530	4	124.1017	4.017	44	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CN)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	129.0080	0.000	1	129.0080	0.000	1	129.0080	0.000	1	128.6355	0.278	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	128.2630	0.000	1	128.2630	0.000	1	128.2630	0.000	1	128.6355	0.278	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)2(CCHH)	C(N[5a]C[5a]2)(CC)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	C(N[5a]C[5a]2)(CC)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.1210	0.325	4	125.1210	0.106	4	125.1210	0.106	4	125.9768	3.615	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO)	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO){1|Br<1>,1|H<1>}	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|Br<1>}	125.5710	0.000	1	125.5710	0.000	1	127.6885	8.968	2	125.9768	3.615	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO)	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(OC)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	129.8060	0.000	1	129.8060	0.000	1	127.6885	8.968	2	125.9768	3.615	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]N[5a])(CC)(H)2	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CC)(H)2	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>}	127.7960	0.000	1	127.7960	0.000	1	127.7960	0.000	1	127.7960	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:2:1:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	125.2760	0.000	1	125.2760	0.000	1	125.2760	0.000	1	125.2760	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	127.7530	0.000	1	127.7530	0.000	1	127.7530	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	127.9390	0.000	1	127.9390	0.000	1	127.9390	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	125.6273	0.920	3	125.6273	0.845	3	125.0880	1.120	5	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	124.8310	0.000	1	124.8310	0.000	1	125.0880	1.120	5	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	123.7270	0.000	1	123.7270	0.000	1	125.0880	1.120	5	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	127.0640	0.000	1	127.0640	0.000	1	127.0640	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.3715	0.240	2	127.3715	0.057	2	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.2130	0.352	4	127.2130	0.124	4	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.5260	0.000	1	127.5260	0.000	1	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.8270	0.000	1	126.3733	2.076	3	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	124.9460	0.000	1	126.3733	2.076	3	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.3470	0.000	1	126.3733	2.076	3	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	128.2680	0.000	1	126.9280	3.591	2	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	125.5880	0.000	1	126.9280	3.591	2	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.3450	0.000	1	126.6590	1.027	7	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.2940	0.000	1	126.6590	1.027	7	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	126.7200	0.000	1	126.6590	1.027	7	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	126.8135	1.394	4	126.6590	1.027	7	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.0830	0.000	1	127.0830	0.000	1	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.8800	0.000	1	127.8800	0.000	1	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.9916	0.875	10	127.9916	0.765	10	127.2771	1.073	31	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	123.0170	0.000	1	123.0170	0.000	1	123.6760	0.865	4	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	123.8957	1.004	3	123.8957	1.008	3	123.6760	0.865	4	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O){2|C<3>}	117.7640	0.000	1	120.0623	3.199	7	120.0623	3.199	7	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O){2|C<3>}	120.4453	1.615	6	120.0623	3.199	7	120.0623	3.199	7	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	123.9280	0.040	2	123.9280	0.002	2	123.9280	0.002	2	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.4800	0.000	1	126.4800	0.000	1	126.4800	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.4040	0.000	1	127.4040	0.000	1	127.4040	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl){2|C<3>}	127.9155	1.021	4	127.9155	1.043	4	127.9155	1.043	4	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	123.7650	0.088	4	123.7650	0.008	4	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.7120	1.052	2	126.3794	1.028	41	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	123.1200	0.000	1	126.3794	1.028	41	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	125.0040	0.000	1	126.3794	1.028	41	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.5500	0.784	36	126.3794	1.028	41	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	124.2080	0.000	1	126.3794	1.028	41	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.1230	0.000	1	127.1230	0.000	1	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.4393	1.093	23	127.4393	1.195	23	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.3030	0.000	1	127.3030	0.000	1	126.6021	1.718	70	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){2|C<3>}	129.4080	0.000	1	128.8020	0.734	2	128.8020	0.734	2	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){1|C<3>,1|N<3>}	128.1960	0.000	1	128.8020	0.734	2	128.8020	0.734	2	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Br<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	119.6500	0.000	1	121.3872	3.251	6	121.3872	3.251	6	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	120.7740	0.000	1	121.3872	3.251	6	121.3872	3.251	6	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	121.1600	0.000	1	121.3872	3.251	6	121.3872	3.251	6	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	123.5725	0.206	2	121.3872	3.251	6	121.3872	3.251	6	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	119.5940	0.000	1	121.3872	3.251	6	121.3872	3.251	6	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	122.2770	1.540	2	122.2770	2.372	2	123.1823	3.645	3	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	124.9930	0.000	1	124.9930	0.000	1	123.1823	3.645	3	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl){2|C<3>}	127.8510	0.000	1	127.8510	0.000	1	127.8510	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.3270	0.000	1	126.3270	0.000	1	126.3270	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.1420	0.000	1	127.1420	0.000	1	126.5418	0.206	5	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.3918	0.353	4	126.3918	0.124	4	126.5418	0.206	5	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	123.5750	0.704	3	123.5750	0.495	3	123.5750	0.495	3	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	124.4180	0.000	1	124.4180	0.000	1	126.0776	1.050	7	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.1335	1.405	2	126.1335	1.974	2	126.0776	1.050	7	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.4645	0.567	4	126.4645	0.322	4	126.0776	1.050	7	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	125.3500	0.000	1	125.3500	0.000	1	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	125.5560	0.000	1	125.5560	0.000	1	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.3250	1.182	4	126.3250	1.397	4	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	127.1145	0.360	2	126.3005	0.694	64	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.2840	0.835	61	126.3005	0.694	64	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	125.6800	0.000	1	126.3005	0.694	64	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.8590	0.592	4	126.8590	0.351	4	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.9550	0.000	1	126.9550	0.000	1	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH){1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|S<2>}	124.8410	0.000	1	124.8410	0.000	1	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	127.4770	0.153	2	127.4770	0.023	2	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	127.7485	1.080	4	127.7485	1.166	4	126.3978	0.841	82	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|H<1>}	128.1440	0.397	2	128.1440	0.158	2	128.1440	0.158	2	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O){2|C<3>}	120.8510	0.000	1	120.8510	0.000	1	121.1335	0.160	2	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O){2|C<3>}	121.4160	0.000	1	121.4160	0.000	1	121.1335	0.160	2	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S){1|C<3>,1|O<1>}	123.5540	0.177	2	123.5540	0.031	2	123.5540	0.031	2	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C(N[5a]C[5a]2)(CBrC)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	C(N[5a]C[5a]2)(CBrC)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|Br<1>}	126.1180	0.000	1	126.1180	0.000	1	126.1180	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	125.2860	0.000	1	125.2860	0.000	1	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	122.2770	0.000	1	122.2770	0.000	1	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]N)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]N)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	125.5590	0.000	1	125.5590	0.000	1	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	127.1810	0.516	4	127.1810	0.266	4	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.3520	0.000	1	126.5523	0.396	3	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	126.6525	0.855	2	126.5523	0.396	3	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	127.1500	0.000	1	127.1500	0.000	1	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	124.3793	0.579	3	124.3793	0.335	3	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	126.8825	0.982	2	126.8825	0.965	2	125.9723	2.335	16	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S){1|C<3>,1|O<1>}	123.0330	0.269	4	123.0330	0.072	4	122.0776	0.726	18	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S){1|C<3>,1|O<1>}	121.8046	0.756	14	121.8046	0.571	14	122.0776	0.726	18	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN){1|N<3>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH){1|Cl<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Cl<1>}	125.8815	0.831	2	125.8815	0.690	2	126.1567	0.572	3	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.7070	0.000	1	126.7070	0.000	1	126.1567	0.572	3	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.8170	0.000	1	126.8170	0.000	1	126.8170	0.000	1	125.8426	4.421	285	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN){1|C<3>,1|N<2>}	128.2710	0.000	1	128.2710	0.000	1	128.2710	0.000	1	126.1139	17.869	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC){2|C<3>}	123.3513	1.314	6	123.3513	1.725	6	123.3513	1.725	6	126.1139	17.869	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	131.0110	8.074	2	131.0110	65.185	2	131.0110	65.185	2	126.1139	17.869	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	127.2630	0.000	1	127.2630	0.000	1	127.2630	0.000	1	126.1139	17.869	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|H<1>}	130.7650	0.000	1	130.7650	0.000	1	127.8515	16.977	2	126.1139	17.869	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<3>}	124.9380	0.000	1	124.9380	0.000	1	127.8515	16.977	2	126.1139	17.869	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	129.6800	0.000	1	129.6800	0.000	1	129.6800	0.000	1	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	130.5730	0.000	1	130.5730	0.000	1	130.3470	0.068	3	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	130.2340	0.242	2	130.2340	0.058	2	130.3470	0.068	3	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.6470	0.000	1	127.6470	0.000	1	131.2378	6.325	4	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	132.4347	0.944	3	132.4347	0.892	3	131.2378	6.325	4	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN){2|C<3>}	131.4830	0.000	1	131.4830	0.000	1	131.4830	0.000	1	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	128.3640	1.209	2	128.3640	1.462	2	128.3640	1.462	2	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN){2|C<3>}	130.9410	0.000	1	130.9410	0.000	1	129.8211	1.091	7	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCO){2|C<3>}	128.6415	0.069	2	128.6415	0.005	2	129.8211	1.091	7	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C){2|C<3>}	129.0940	0.000	1	129.0940	0.000	1	129.8211	1.091	7	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CNO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CNO){1|C<3>,1|N<2>}	130.4660	0.000	1	130.4660	0.000	1	129.8211	1.091	7	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(COO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	130.4820	0.829	2	130.4820	0.687	2	129.8211	1.091	7	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	127.9712	2.918	5	127.9712	8.513	5	128.5492	8.815	6	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	131.4390	0.000	1	131.4390	0.000	1	128.5492	8.815	6	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	128.5950	0.000	1	128.6142	2.142	34	128.6607	2.155	35	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	128.8554	0.959	7	128.6142	2.142	34	128.6607	2.155	35	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.5500	1.608	26	128.6142	2.142	34	128.6607	2.155	35	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	130.2440	0.000	1	130.2440	0.000	1	128.6607	2.155	35	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCC){2|H<1>}	129.5550	0.000	1	129.5550	0.000	1	129.5550	0.000	1	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	126.8350	0.000	1	126.8350	0.000	1	126.8350	0.000	1	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){2|H<1>}	130.7890	0.096	3	130.7890	0.009	3	130.7890	0.009	3	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN){1|N<3>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	130.1500	0.000	1	130.1500	0.000	1	130.5623	0.135	3	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|C<4>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO){1|C<4>,1|O<1>}	130.8570	0.000	1	130.7685	0.016	2	130.5623	0.135	3	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|H<1>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO){1|H<1>,1|O<1>}	130.6800	0.000	1	130.7685	0.016	2	130.5623	0.135	3	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2){2|H<1>}	128.2115	0.050	2	128.2115	0.003	2	128.2115	0.003	2	129.1872	3.064	69	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	128.1130	0.166	4	128.1130	0.028	4	127.9401	0.490	7	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	128.9500	0.000	1	128.9500	0.000	1	127.9401	0.490	7	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	127.4560	0.000	1	127.4560	0.000	1	127.9401	0.490	7	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	126.7230	0.000	1	126.7230	0.000	1	127.9401	0.490	7	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH){2|C<3>}	128.0970	0.000	1	128.0970	0.000	1	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	127.4293	0.728	3	127.4293	0.531	3	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	128.9550	0.000	1	128.9550	0.000	1	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	127.6774	0.633	7	127.6774	0.401	7	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	128.3976	0.926	5	128.3976	0.858	5	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	127.7620	1.008	2	127.7620	1.017	2	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	128.5045	1.009	2	128.5045	1.018	2	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	127.8580	0.000	1	127.8580	0.000	1	127.9755	0.618	22	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	126.2300	0.878	3	126.3160	0.543	4	126.4858	1.262	10	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	126.5740	0.000	1	126.3160	0.543	4	126.4858	1.262	10	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	127.8765	0.524	2	127.8765	0.275	2	126.4858	1.262	10	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	124.7280	0.000	1	124.7280	0.000	1	126.4858	1.262	10	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	125.2950	0.000	1	125.2950	0.000	1	126.4858	1.262	10	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH){2|H<1>}	127.4600	0.000	1	127.4600	0.000	1	126.4858	1.262	10	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	126.3580	0.000	1	126.3580	0.000	1	126.4858	1.262	10	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	126.5220	0.000	1	126.5220	0.000	1	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|S<2>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|S<2>}	126.0030	0.000	1	126.0030	0.000	1	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	128.0210	0.267	2	128.0210	0.071	2	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	126.7700	0.068	4	126.7700	0.005	4	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	127.1730	0.508	3	127.1730	0.258	3	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	126.1880	1.088	2	126.1880	1.183	2	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.8700	0.000	1	125.8700	0.000	1	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	124.2130	0.000	1	124.2130	0.000	1	126.6417	0.988	15	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pd){2|H<1>}	130.4200	1.544	2	130.4200	2.385	2	128.9874	4.253	8	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pt)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pt){2|H<1>}	130.8145	1.302	2	130.8145	1.695	2	128.9874	4.253	8	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Ru)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Ru){2|H<1>}	127.8535	1.706	2	127.8535	2.911	2	128.9874	4.253	8	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se){2|H<1>}	126.8615	0.624	2	126.8615	0.390	2	128.9874	4.253	8	127.5391	1.904	62	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	125.9965	0.029	2	125.9965	0.001	2	125.9840	1.106	4	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|C<3>}	124.6840	0.000	1	124.6840	0.000	1	125.9840	1.106	4	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|N<2>}	127.2590	0.000	1	127.2590	0.000	1	125.9840	1.106	4	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,6]Ru)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH){1|Ru<8>,3|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,6]Ru)(N[5a]C[5a,6]C)(H){2|C<3>}	123.8000	0.000	1	123.8000	0.000	1	123.8000	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)2(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<3>,2|N<2>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)2(H){1|C<3>,1|N<2>}	124.5760	0.000	1	124.5760	0.000	1	125.2400	0.882	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6]C)2(H){1|C<3>,1|N<2>}	125.9040	0.000	1	125.9040	0.000	1	125.2400	0.882	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	123.8995	0.496	2	123.5298	0.245	6	123.5298	0.245	6	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	123.4965	0.244	2	123.5298	0.245	6	123.5298	0.245	6	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	123.1935	0.648	2	123.5298	0.245	6	123.5298	0.245	6	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	125.2710	0.000	1	126.2250	0.686	3	126.2250	0.686	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.7020	0.078	2	126.2250	0.686	3	126.2250	0.686	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.3920	0.000	1	127.3920	0.000	1	126.6504	0.657	5	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.5080	0.000	1	126.5080	0.000	1	126.6504	0.657	5	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	126.4507	0.984	3	126.4507	0.969	3	126.6504	0.657	5	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	117.6775	1.150	2	117.6775	1.324	2	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	115.5680	0.000	1	115.5680	0.000	1	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	123.3550	0.035	2	123.3550	0.001	2	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	123.9100	0.000	1	123.2883	0.681	6	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	123.1640	0.857	5	123.2883	0.681	6	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	124.4050	0.000	1	122.5350	6.994	2	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	120.6650	0.000	1	122.5350	6.994	2	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){1|C<3>,1|N<2>}	124.0050	0.000	1	124.0050	0.000	1	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	124.5310	0.000	1	124.5310	0.000	1	122.0646	8.216	15	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.1440	0.000	1	127.1440	0.000	1	127.1440	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	123.6740	0.000	1	123.6740	0.000	1	123.1827	0.323	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O){1|C<4>,3|C<3>}	123.3140	0.000	1	123.3140	0.000	1	123.1827	0.323	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.5600	0.000	1	122.5600	0.000	1	123.1827	0.323	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	126.6730	0.000	1	126.6730	0.000	1	126.6730	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	121.9690	0.000	1	125.1075	1.985	35	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.4005	0.901	11	125.1075	1.985	35	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	121.6250	0.028	2	125.1075	1.985	35	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.4351	1.050	21	125.1075	1.985	35	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	124.8550	0.000	1	125.1971	0.530	9	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	125.3700	0.359	3	125.1971	0.530	9	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	123.9070	0.000	1	125.1971	0.530	9	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|O<2>,4|C<3>}	125.7920	0.000	1	125.1971	0.530	9	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	126.3180	0.000	1	125.1971	0.530	9	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	124.8960	0.566	2	125.1971	0.530	9	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	125.4410	0.000	1	125.4410	0.000	1	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	126.2070	0.000	1	126.2070	0.000	1	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.7920	0.113	2	125.7920	0.013	2	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(H){2|C<3>,2|C<4>}	124.8805	1.002	2	124.8805	1.004	2	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.3740	0.000	1	126.3740	0.000	1	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.4150	1.475	2	125.4150	2.176	2	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH){1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	126.1330	0.000	1	126.1330	0.000	1	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	121.1250	0.264	2	121.1250	0.070	2	125.0735	2.035	56	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	118.1605	0.216	2	118.1605	0.047	2	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	120.3810	0.000	1	122.4917	3.342	3	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	123.5470	0.044	2	122.4917	3.342	3	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	123.7980	0.000	1	122.9803	1.253	19	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	123.1930	0.843	16	122.9803	1.253	19	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	119.9750	0.000	1	122.9803	1.253	19	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	121.7650	0.000	1	122.9803	1.253	19	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){1|C<3>,1|N<2>}	124.0950	0.000	1	124.0950	0.000	1	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	123.4470	0.628	2	123.4470	0.394	2	122.6449	2.904	27	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])2(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.3185	0.192	2	122.3185	0.037	2	122.3185	0.037	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.7880	1.051	2	126.7880	1.104	2	126.6940	0.358	6	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.6470	0.468	4	126.6470	0.219	4	126.6940	0.358	6	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH){2|H<1>}	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H){4|C<3>}	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8600	0.259	4	123.8600	0.067	4	123.8103	0.064	7	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7440	0.284	3	123.7440	0.081	3	123.8103	0.064	7	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:S-1:	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	123.7600	0.916	2	123.7600	0.840	2	123.7600	0.840	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	124.2710	0.000	1	123.8038	1.922	4	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	121.7570	0.000	1	123.8038	1.922	4	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|S<4>}	124.3570	0.000	1	123.8038	1.922	4	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<4>}	124.8300	0.000	1	123.8038	1.922	4	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	123.1290	0.194	3	123.1290	0.038	3	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.6160	0.924	5	124.3495	1.187	10	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	125.0830	0.686	5	124.3495	1.187	10	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH){2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	128.2650	0.000	1	128.2650	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|I<1>}	122.9190	0.000	1	122.9190	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	124.0155	1.384	2	124.0155	1.915	2	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,1|P<4>,2|C<3>}	122.1510	0.000	1	122.1510	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	122.8030	0.000	1	124.5833	2.566	3	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	125.4735	0.614	2	124.5833	2.566	3	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.1118	1.052	4	127.1118	1.106	4	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	126.3770	0.000	1	126.3770	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]C)(H){2|C<4>,2|H<1>}	126.6720	0.000	1	126.6720	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.8553	0.764	61	126.8553	0.583	61	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H){1|H<1>}	127.2450	0.000	1	127.2450	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.0385	0.783	4	127.0385	0.613	4	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.3450	0.000	1	126.3450	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|I<1>}	125.8430	0.116	2	125.8430	0.013	2	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	123.5100	0.000	1	123.5100	0.000	1	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	125.2230	1.621	2	125.2230	2.627	2	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	125.4377	0.541	6	125.4377	0.292	6	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.0209	0.969	33	124.0209	0.940	33	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	123.7551	0.556	7	123.7551	0.309	7	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){3|C<3>}	123.6410	0.980	4	123.6410	0.961	4	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	123.8537	0.131	3	123.9618	0.055	5	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.1240	0.313	2	123.9618	0.055	5	125.4193	2.785	158	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O){1|H<1>,1|S<1>}	122.7110	0.000	1	122.7110	0.000	1	120.9167	2.436	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	120.1650	0.000	1	120.1650	0.000	1	120.9167	2.436	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	119.8740	0.000	1	119.8740	0.000	1	120.9167	2.436	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O){2|C<3>,2|C<4>}	121.9640	0.000	1	121.9640	0.000	1	123.5300	1.850	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|H<1>,2|C<3>}	124.3130	0.147	2	124.3130	0.022	2	123.5300	1.850	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:S-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(S)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(S){1|C<3>,1|O<1>}	125.9670	0.000	1	125.9670	0.000	1	125.9670	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|S<2>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]C[5a]C)(O){1|C<3>,1|O<1>,1|S<2>}	124.6385	0.770	2	124.6385	0.593	2	123.8471	0.529	10	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.6492	0.610	8	123.6492	0.372	8	123.8471	0.529	10	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C(N[5a]C[5a]2)(CBrC)(H)2	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	C(N[5a]C[5a]2)(CBrC)(H)2	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br){1|Br<1>}	126.6330	0.000	1	126.6330	0.000	1	126.0120	0.771	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Br){1|C<4>}	125.3910	0.000	1	125.3910	0.000	1	126.0120	0.771	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	120.0250	0.000	1	120.0250	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6]C)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CC[6]C)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	122.6470	0.000	1	122.6470	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	127.4610	0.000	1	127.4610	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	122.2250	1.713	5	121.8732	3.091	6	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Mn<5>,1|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Mn<5>,1|C<3>}	120.1140	0.000	1	121.8732	3.091	6	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.8480	0.000	1	124.8930	0.007	3	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	124.9155	0.108	2	124.8930	0.007	3	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	124.4270	0.000	1	124.4270	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){4|C<3>}	123.4370	0.000	1	123.4370	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	124.4345	0.837	2	124.4345	0.700	2	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	124.7130	0.720	4	124.7130	0.518	4	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	124.4870	0.296	3	124.4870	0.087	3	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	129.6640	0.000	1	129.6640	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]N)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]N)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.7670	0.000	1	127.7670	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.6035	0.310	4	126.6035	0.096	4	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.7640	0.000	1	126.7640	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	125.8910	0.413	2	125.8910	0.171	2	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	125.7510	0.000	1	125.7510	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	124.2247	0.197	3	124.2247	0.039	3	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	125.0610	0.000	1	125.0610	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	123.6730	0.000	1	123.6730	0.000	1	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	125.4050	0.447	2	125.4050	0.200	2	124.6364	4.148	40	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	120.4947	0.339	4	120.4947	0.115	4	121.0932	0.891	18	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	121.2641	0.999	14	121.2641	0.997	14	121.0932	0.891	18	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CC[6]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC[6]HH){2|H<1>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	125.3565	0.083	2	125.3565	0.007	2	124.5134	0.815	5	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	123.9513	0.664	3	123.9513	0.441	3	124.5134	0.815	5	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN){1|N<3>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|N<3>}	124.3420	0.000	1	124.3420	0.000	1	124.3420	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|C<4>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|N<3>}	121.7720	0.000	1	121.7720	0.000	1	121.0860	0.941	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|H<1>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|N<3>}	120.4000	0.000	1	120.4000	0.000	1	121.0860	0.941	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH){1|Cl<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|H<1>}	128.3245	1.554	2	128.3245	2.413	2	128.4300	1.240	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH){1|Cl<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|Rh<8>}	128.6410	0.000	1	128.6410	0.000	1	128.4300	1.240	3	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.8570	0.000	1	126.8570	0.000	1	126.4660	0.306	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	126.0750	0.000	1	126.0750	0.000	1	126.4660	0.306	2	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a]C)2(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5a](N[5a]C[5a]C)2(O){2|H<1>}	123.7660	0.000	1	123.7660	0.000	1	123.7660	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.1340	0.000	1	127.1340	0.000	1	124.4551	2.524	11	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	124.1940	0.272	2	124.1872	1.927	10	124.4551	2.524	11	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	124.1855	1.571	8	124.1872	1.927	10	124.4551	2.524	11	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|N<3>,1|S<4>}	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	124.5746	4.471	407	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH){2|C<4>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC){2|C<4>}	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	126.4490	0.000	1	126.4490	0.000	1	126.4490	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	125.2250	0.000	1	125.2250	0.000	1	125.2250	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(OCu)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(OCu){2|C<3>}	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.6660	0.273	2	130.6660	0.074	2	130.6660	0.074	2	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	125.3683	0.522	3	125.3683	0.273	3	126.6530	6.783	4	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	130.5070	0.000	1	130.5070	0.000	1	126.6530	6.783	4	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(SC)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(SC){1|C<3>,1|N<2>}	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.7448	1.914	8	130.7448	3.664	8	130.4612	2.316	13	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	129.8580	0.000	1	130.0076	0.119	5	130.4612	2.316	13	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.0450	0.386	4	130.0076	0.119	5	130.4612	2.316	13	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	124.6700	0.000	1	124.6700	0.000	1	124.6700	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN){1|C<3>}	123.6840	0.235	2	123.6840	0.055	2	123.6840	0.055	2	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	129.3328	0.890	10	129.0447	0.548	33	129.1736	0.616	41	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	128.9195	0.648	23	129.0447	0.548	33	129.1736	0.616	41	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	129.9015	0.118	4	129.5144	0.374	7	129.1736	0.616	41	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	128.9983	0.635	3	129.5144	0.374	7	129.1736	0.616	41	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	131.0400	0.000	1	131.0400	0.000	1	129.1736	0.616	41	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(OC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(OC){2|C<3>}	123.2120	0.000	1	123.2120	0.000	1	123.2120	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH){1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC){1|H<1>}	127.9740	0.000	1	127.9740	0.000	1	127.9740	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,5|C<3>}	125.1770	0.000	1	125.1770	0.000	1	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,5|C<3>}	126.6920	0.000	1	126.6920	0.000	1	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	128.2630	0.000	1	128.2630	0.000	1	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.5450	0.000	1	127.5450	0.000	1	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	130.1395	0.076	2	130.1395	0.006	2	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	127.8145	0.988	2	128.8632	1.281	6	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	129.3875	0.843	4	128.8632	1.281	6	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	129.2223	0.707	3	129.2223	0.499	3	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	126.9830	0.550	2	126.9830	0.303	2	128.3981	2.197	17	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>,2|C<4>}	125.0890	0.000	1	125.0890	0.000	1	125.0890	0.000	1	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	128.5840	0.000	1	128.5840	0.000	1	128.1605	0.747	4	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	129.1600	0.000	1	129.1600	0.000	1	128.1605	0.747	4	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	127.4490	0.222	2	127.4490	0.049	2	128.1605	0.747	4	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	125.1810	0.000	1	127.3756	2.028	8	127.3756	2.028	8	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	127.6891	1.203	7	127.3756	2.028	8	127.3756	2.028	8	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	128.8447	0.397	3	128.8447	0.157	3	128.8447	0.157	3	128.5264	3.620	103	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	126.0800	0.000	1	126.0800	0.000	1	126.0800	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHO)	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>}	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHO){2|C<3>}	128.5030	0.000	1	128.5030	0.000	1	125.5114	7.017	5	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	126.5830	0.000	1	126.5830	0.000	1	125.5114	7.017	5	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCC){2|C<3>}	127.0400	0.000	1	127.0400	0.000	1	125.5114	7.017	5	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN){1|C<3>,1|N<3>}	122.7350	0.000	1	122.7350	0.000	1	125.5114	7.017	5	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHO){1|C<3>,1|N<3>}	122.6960	0.000	1	122.6960	0.000	1	125.5114	7.017	5	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	123.4040	0.000	1	123.4040	0.000	1	123.4040	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S){4|C<3>}	126.8680	0.000	1	126.8680	0.000	1	126.8680	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<4>,3|C<3>}	125.7410	0.000	1	125.7410	0.000	1	125.7410	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	126.4050	0.000	1	126.4050	0.000	1	126.4050	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:B[5]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(B[5]O[5]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH){1|H<1>,2|C<3>,2|O<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(B[5]O[5]2){1|C<3>,1|N<2>,2|C<4>}	126.2760	0.000	1	126.2760	0.000	1	126.2760	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CCN){1|N<3>,3|C<3>}	125.3560	0.000	1	125.3560	0.000	1	126.7590	3.937	2	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	128.1620	0.000	1	128.1620	0.000	1	126.7590	3.937	2	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.9620	0.617	2	121.9620	0.380	2	126.0902	2.940	18	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.1704	0.328	11	126.1704	0.108	11	126.0902	2.940	18	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.1737	0.801	3	127.1737	0.641	3	126.0902	2.940	18	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.4210	0.000	1	127.4210	0.000	1	126.0902	2.940	18	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	128.8830	0.000	1	128.8830	0.000	1	126.0902	2.940	18	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|Cl<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	126.4590	0.000	1	126.4590	0.000	1	126.7046	0.484	5	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	126.7660	0.787	4	126.7660	0.620	4	126.7046	0.484	5	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	127.1910	0.000	1	127.1910	0.000	1	127.1910	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	127.7570	0.000	1	127.7570	0.000	1	127.7570	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH){2|H<1>}	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){2|H<1>}	127.8320	0.000	1	127.8320	0.000	1	127.8320	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]C)(CCC)	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]C)(CCC){1|C<4>,1|S<4>,2|C<3>}	125.7450	0.000	1	125.7450	0.000	1	125.7450	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	126.2100	0.000	1	126.2100	0.000	1	126.2100	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>}	128.7410	0.000	1	128.7410	0.000	1	128.7410	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	125.5780	0.000	1	125.5780	0.000	1	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	124.4800	0.000	1	124.4800	0.000	1	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	127.3345	0.218	2	127.3345	0.048	2	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	125.0880	0.000	1	125.0880	0.000	1	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	126.0170	0.000	1	126.0170	0.000	1	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	127.4810	0.000	1	127.4810	0.000	1	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	125.0980	0.946	2	125.0980	0.895	2	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	126.5410	0.000	1	126.5410	0.000	1	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	128.1870	0.000	1	128.1870	0.000	1	126.2034	1.627	11	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	129.3820	0.000	1	129.3820	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	127.1710	0.000	1	127.1710	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){2|H<1>}	126.4320	0.000	1	126.4320	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|H<1>}	128.0233	0.289	3	128.0233	0.084	3	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,1|O<2>,2|C<3>}	128.8620	0.000	1	128.8620	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHO){1|C<4>}	126.5370	0.650	3	126.5370	0.423	3	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)(CCH){1|O<1>,2|C<3>}	129.5080	0.000	1	129.5080	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C){2|C<4>}	123.0860	0.000	1	123.0860	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C){1|C<3>,1|H<1>}	122.9930	0.000	1	122.9930	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){1|C<3>,1|H<1>}	127.7270	0.000	1	127.7270	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	123.9180	0.000	1	123.9180	0.000	1	126.8507	4.404	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH){2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2){1|N<2>,2|C<3>,3|H<1>}	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6a]S)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6a]S){1|C<3>,1|H<1>}	125.1220	0.000	1	125.1220	0.000	1	125.1220	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	128.4690	1.465	2	128.4690	2.147	2	128.4690	2.147	2	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	128.4010	0.000	1	128.4010	0.000	1	128.4010	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)2(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CCC)	N[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CCC){1|H<1>,3|C<3>}	124.4462	1.192	4	124.4462	1.420	4	124.4462	1.420	4	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Mn<5>,1|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>}	131.1710	0.000	1	131.1710	0.000	1	131.1710	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	123.9960	0.000	1	123.9960	0.000	1	125.1729	1.547	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.0640	0.434	2	124.0640	0.188	2	125.1729	1.547	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	126.8710	0.000	1	126.8710	0.000	1	125.1729	1.547	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	126.6540	0.000	1	126.6540	0.000	1	125.1729	1.547	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	125.1972	1.339	8	125.1972	1.792	8	125.1729	1.547	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.2160	0.000	1	125.2160	0.000	1	125.1729	1.547	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	125.1510	0.000	1	125.1510	0.000	1	125.1729	1.547	15	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	130.4880	0.000	1	130.4880	0.000	1	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6]C)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CC[6]C)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){2|H<1>}	128.6640	0.000	1	128.6640	0.000	1	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH){2|H<1>}	122.4020	0.000	1	122.4020	0.000	1	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	128.7470	0.000	1	128.7470	0.000	1	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	126.2900	0.000	1	126.2900	0.000	1	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>}	127.4835	1.797	2	127.4835	3.228	2	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]N[5a]S)(N[5a]C[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|S<2>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]N[5a]S)(N[5a]C[5a]C)(CHN){1|C<4>}	126.3550	0.000	1	126.3550	0.000	1	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	124.0210	0.000	1	124.0210	0.000	1	126.8816	6.562	9	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	128.2065	1.077	2	128.2065	1.160	2	129.2781	1.526	7	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	128.0210	0.000	1	128.0210	0.000	1	129.2781	1.526	7	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|C<4>}	129.4340	0.000	1	129.4340	0.000	1	129.2781	1.526	7	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>}	129.7410	0.000	1	129.7410	0.000	1	129.2781	1.526	7	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCN)(H)2	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a]C)(NOO){1|H<1>,2|C<4>}	130.6690	0.100	2	130.6690	0.010	2	129.2781	1.526	7	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN)	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN){1|N<3>}	C(N[5a]C[5a]2)(NCN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>}	129.7070	0.000	1	129.7070	0.000	1	129.7070	0.000	1	126.4544	4.030	110	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3){1|C<4>,1|O<2>}	127.6040	0.000	1	127.6040	0.000	1	127.6040	0.000	1	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	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>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	128.0805	0.103	2	128.0805	0.011	2	127.8812	0.400	5	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH)	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>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH){2|C<3>}	128.0230	1.003	2	128.0230	1.005	2	127.8812	0.400	5	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHN){2|C<3>}	127.1990	0.000	1	127.1990	0.000	1	127.8812	0.400	5	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	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>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	125.7770	0.730	4	125.7770	0.533	4	126.0543	0.504	9	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	126.8640	0.000	1	126.8640	0.000	1	126.0543	0.504	9	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCCH){2|C<3>}	126.6610	0.000	1	126.6610	0.000	1	126.0543	0.504	9	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CH3)	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>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	125.3280	0.000	1	125.3280	0.000	1	126.0543	0.504	9	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	125.7700	0.000	1	125.7700	0.000	1	126.0543	0.504	9	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){1|C<3>,1|N<2>}	126.7580	0.000	1	126.7580	0.000	1	126.0543	0.504	9	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CHHO){1|H<1>}	129.0230	0.000	1	129.0230	0.000	1	126.2250	6.146	3	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	125.3500	0.000	1	125.3500	0.000	1	126.2250	6.146	3	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	124.3020	0.000	1	124.3020	0.000	1	126.2250	6.146	3	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)(CH3){1|N<3>,3|C<3>}	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH){2|C<3>,2|C<4>}	127.5830	0.000	1	127.5830	0.000	1	125.1060	12.271	2	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(CC[6a]HN)	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	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>}	122.6290	0.000	1	122.6290	0.000	1	125.1060	12.271	2	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	125.9040	0.000	1	126.4030	0.784	5	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|H<1>}	127.0090	0.154	3	126.4030	0.784	5	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	125.0840	0.000	1	126.4030	0.784	5	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	125.3640	0.161	4	125.3640	0.026	4	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	126.8450	0.000	1	126.8450	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	125.7720	0.000	1	125.7720	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	125.0833	2.496	3	125.0833	6.230	3	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO){1|C<4>}	124.9670	0.000	1	124.9670	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,1|O<2>}	127.1060	0.000	1	127.1060	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|O<1>}	126.4660	0.000	1	126.4660	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	124.6910	0.000	1	124.6827	1.308	3	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	125.8220	0.000	1	124.6827	1.308	3	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	123.5350	0.000	1	124.6827	1.308	3	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	123.9290	0.000	1	123.9290	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){2|C<4>}	125.9960	0.000	1	125.9960	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){4|C<3>}	124.5070	0.000	1	124.5070	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3){3|C<3>}	124.5220	0.000	1	124.5220	0.000	1	125.5366	1.534	24	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3){1|C<3>,1|H<1>}	128.1610	0.000	1	128.1610	0.000	1	128.1610	0.000	1	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHN){2|H<1>}	126.3740	0.000	1	126.3740	0.000	1	124.3017	3.999	7	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	125.7260	0.000	1	125.7260	0.000	1	124.3017	3.999	7	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>}	123.0230	0.000	1	123.0230	0.000	1	124.3017	3.999	7	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CCHH)	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	126.6820	0.000	1	126.6820	0.000	1	124.3017	3.999	7	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|S<4>}	124.2170	0.000	1	124.2170	0.000	1	124.3017	3.999	7	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	C(N[5a]C[5a]2)(CCO)(H)2	C[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(CCHH){2|C<3>}	122.0450	0.419	2	122.0450	0.175	2	124.3017	3.999	7	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[4]-4:	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	C(N[5a]C[5a]2)(CCH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H){1|C<3>,1|C<4>,5|H<1>}	125.3900	0.000	1	125.3900	0.000	1	125.3900	0.000	1	125.7363	2.795	54	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:O-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	125.1285	0.074	2	125.1285	0.006	2	125.1285	0.006	2	125.1285	0.006	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:O-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:O-2:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	122.8010	0.000	1	122.8010	0.000	1	122.8010	0.000	1	122.8010	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.8360	0.000	1	126.8360	0.000	1	126.8360	0.000	1	128.1200	1.606	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	128.6180	0.000	1	128.6180	0.000	1	128.9087	0.131	4	128.1200	1.606	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	129.0057	0.375	3	129.0057	0.140	3	128.9087	0.131	4	128.1200	1.606	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.2490	0.000	1	126.2490	0.000	1	126.2490	0.000	1	128.1200	1.606	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.2530	0.000	1	127.2530	0.000	1	127.2530	0.000	1	125.8547	2.522	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	124.4880	0.316	3	124.4880	0.100	3	124.4880	0.100	3	125.8547	2.522	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<2>,1|H<1>}	126.4300	0.000	1	126.4300	0.000	1	126.4300	0.000	1	125.8547	2.522	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:N-3:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.9810	0.000	1	127.9810	0.000	1	127.9810	0.000	1	125.8547	2.522	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	126.1350	0.000	1	126.1350	0.000	1	126.1350	0.000	1	125.7107	3.277	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	127.2710	0.000	1	127.2710	0.000	1	127.2710	0.000	1	125.7107	3.277	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){2|H<1>}	123.7260	0.000	1	123.7260	0.000	1	123.7260	0.000	1	125.7107	3.277	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.8300	0.000	1	125.8300	0.000	1	125.8300	0.000	1	125.6635	0.055	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	125.4970	0.000	1	125.4970	0.000	1	125.4970	0.000	1	125.6635	0.055	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	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>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	126.0070	0.000	1	126.0070	0.000	1	127.3290	0.848	4	127.3752	6.321	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	127.7697	0.327	3	127.7697	0.107	3	127.3290	0.848	4	127.3752	6.321	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<3>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	129.0060	0.000	1	127.3982	9.568	8	127.3982	9.568	8	127.3752	6.321	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<4>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	129.0768	3.164	4	127.3982	9.568	8	127.3982	9.568	8	127.3752	6.321	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|H<1>}	124.6340	0.000	1	127.3982	9.568	8	127.3982	9.568	8	127.3752	6.321	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	124.6195	0.060	2	127.3982	9.568	8	127.3982	9.568	8	127.3752	6.321	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<3>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	125.3420	0.000	1	124.1024	5.622	5	126.0501	10.449	8	126.0501	10.449	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<4>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	123.7925	2.618	4	124.1024	5.622	5	126.0501	10.449	8	126.0501	10.449	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H){1|H<1>}	129.1820	0.000	1	129.1820	0.000	1	126.0501	10.449	8	126.0501	10.449	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	129.3535	0.235	2	129.3535	0.055	2	126.0501	10.449	8	126.0501	10.449	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	129.9390	0.000	1	129.9390	0.000	1	129.9390	0.000	1	123.4830	11.930	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	122.1135	0.131	2	122.1135	0.017	2	122.1135	0.017	2	123.4830	11.930	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(S)	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH){1|C<3>,1|S<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(S){1|C<3>,1|S<2>}	121.4180	0.351	4	121.4180	0.123	4	121.4180	0.123	4	123.4830	11.930	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	128.0260	0.000	1	128.0260	0.000	1	128.0260	0.000	1	123.4830	11.930	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	125.6827	0.249	6	125.6827	0.062	6	125.6827	0.062	6	124.7250	2.544	22	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	127.1950	0.000	1	127.1950	0.000	1	127.1950	0.000	1	124.7250	2.544	22	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	124.0205	1.525	8	124.0205	2.326	8	124.2193	2.802	10	124.7250	2.544	22	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	125.0145	2.713	2	125.0145	7.361	2	124.2193	2.802	10	124.7250	2.544	22	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8118	1.840	4	123.8118	3.385	4	123.8118	3.385	4	124.7250	2.544	22	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	124.7250	2.544	22	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:4:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	125.0550	0.383	2	125.0550	0.147	2	125.0550	0.147	2	125.0550	0.147	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,5a]C)(S[5a]C[5a,5a])(O)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH){1|C<3>,1|S<2>}	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,5a]C)(S[5a]C[5a,5a])(O){2|S<2>}	120.3240	0.000	1	120.3240	0.000	1	120.3240	0.000	1	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	126.0910	0.000	1	127.2643	1.254	8	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pt<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	125.4380	0.000	1	127.2643	1.254	8	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	127.7642	0.717	6	127.2643	1.254	8	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	129.2853	0.379	3	129.2853	0.143	3	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Cd<6>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	126.2840	0.318	2	126.4724	0.399	5	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Co<5>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	127.4790	0.000	1	126.4724	0.399	5	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	126.1575	0.460	2	126.4724	0.399	5	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Rh<6>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	122.1760	0.000	1	125.6783	9.430	3	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	127.4295	0.678	2	125.6783	9.430	3	127.1246	2.894	19	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:B[5,5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.5540	0.525	2	126.5540	0.275	2	126.5540	0.275	2	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	124.7183	0.526	6	124.7183	0.276	6	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.0777	1.528	3	127.0777	2.334	3	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.8685	0.211	4	126.8685	0.044	4	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.2720	0.000	1	127.2720	0.000	1	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.7460	0.000	1	126.7460	0.000	1	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.3347	0.411	7	127.3347	0.169	7	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.0850	0.590	3	127.0850	0.348	3	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	127.6780	1.099	4	127.6780	1.208	4	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.4128	0.946	4	126.4128	0.895	4	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	125.5000	0.000	1	125.5000	0.000	1	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.7752	1.188	24	127.7752	1.411	24	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	128.0020	1.547	2	128.0020	2.394	2	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.4330	0.948	4	127.4330	0.899	4	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.1823	0.630	3	127.1823	0.397	3	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.7413	1.475	3	127.7413	2.177	3	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.4190	0.290	2	127.4190	0.084	2	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.1640	0.000	1	127.1640	0.000	1	127.1864	1.548	73	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){1|C<3>,1|N<3>}	129.9790	0.000	1	129.9790	0.000	1	129.9790	0.000	1	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O){2|C<3>}	120.1286	1.436	5	120.1286	2.061	5	120.1453	1.650	6	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])(O){2|C<3>}	120.2290	0.000	1	120.2290	0.000	1	120.1453	1.650	6	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[3x6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.5020	0.072	2	126.5020	0.005	2	126.5020	0.005	2	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[4]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH)	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	125.4920	0.000	1	125.4920	0.000	1	125.4920	0.000	1	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	128.1890	0.000	1	128.1890	0.000	1	127.4164	2.055	12	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|N<2>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.6160	0.000	1	126.6160	0.000	1	127.4164	2.055	12	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.7675	0.122	2	126.7675	0.015	2	127.4164	2.055	12	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	126.7397	1.163	3	126.7397	1.353	3	127.4164	2.055	12	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.6965	2.094	2	126.6965	4.384	2	127.4164	2.055	12	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	129.0150	1.293	3	129.0150	1.671	3	127.4164	2.055	12	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.6810	1.121	3	126.6810	1.256	3	127.5995	1.600	6	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	128.5180	0.462	3	128.5180	0.214	3	127.5995	1.600	6	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,1|O<2>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	125.1820	0.000	1	125.1820	0.000	1	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<2>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	126.8170	0.000	1	126.8170	0.000	1	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	122.8885	0.704	2	122.8885	0.495	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	124.5415	2.106	2	124.5415	4.437	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	125.2438	1.733	4	125.2438	3.002	4	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.5081	2.068	62	126.5081	4.278	62	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	127.2163	0.968	11	127.2163	0.937	11	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CFNN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CFNN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	127.1180	0.000	1	127.1180	0.000	1	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	121.1530	5.180	2	121.1530	26.835	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	126.7970	0.000	1	126.7970	0.000	1	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.2170	0.537	2	126.2170	0.289	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN[5]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CN[5]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	127.2270	0.000	1	127.2270	0.000	1	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	124.8775	0.945	2	124.8775	0.894	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	124.3160	1.021	4	124.3160	1.042	4	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	126.4400	0.000	1	126.4400	0.000	1	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	125.6940	0.964	5	125.6940	0.929	5	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CCCO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CCCO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	128.0755	1.039	2	128.0755	1.079	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	127.9385	0.228	2	127.9385	0.052	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	127.5825	0.428	2	127.5825	0.183	2	126.2567	4.289	108	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(O){1|C<3>,1|S<1>}	120.0740	0.332	4	120.1334	0.100	5	120.1334	0.100	5	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|S<2>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(O){2|S<2>}	120.3710	0.000	1	120.1334	0.100	5	120.1334	0.100	5	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S){1|C<3>,1|O<1>}	123.3846	0.886	7	123.3846	0.785	7	123.2705	0.532	13	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S){1|C<3>,1|O<1>}	122.5510	0.000	1	122.5510	0.000	1	123.2705	0.532	13	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(S){1|C<3>,1|O<1>}	123.2546	0.516	5	123.2546	0.266	5	123.2705	0.532	13	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	127.2790	0.000	1	127.2790	0.000	1	127.2790	0.000	1	126.2541	5.427	250	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC){2|C<3>}	125.2230	0.000	1	125.2230	0.000	1	127.4575	2.555	4	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4]){2|C<3>}	128.5885	0.337	2	128.5885	0.114	2	127.4575	2.555	4	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5]){2|C<3>}	127.4300	0.000	1	127.4300	0.000	1	127.4575	2.555	4	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	127.5957	0.150	3	127.5957	0.023	3	127.6060	0.459	10	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	128.0160	0.000	1	128.0160	0.000	1	127.6060	0.459	10	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	127.4015	0.363	2	127.4015	0.132	2	127.6060	0.459	10	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){1|C<3>,1|N<2>}	127.4437	1.296	3	127.4437	1.679	3	127.6060	0.459	10	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){1|C<3>,1|N<2>}	128.1230	0.000	1	128.1230	0.000	1	127.6060	0.459	10	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC){2|H<1>}	125.4150	0.000	1	125.4150	0.000	1	125.4150	0.000	1	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	128.0010	0.000	1	128.0010	0.000	1	128.0010	0.000	1	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH){3|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|C<3>}	126.7840	0.000	1	126.7840	0.000	1	127.1610	0.284	2	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<4>}	127.5380	0.000	1	127.5380	0.000	1	127.1610	0.284	2	127.4238	0.996	18	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	129.0695	0.484	2	129.0695	0.235	2	128.7508	0.279	4	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	128.4320	0.441	2	128.4320	0.195	2	128.7508	0.279	4	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	129.4210	0.000	1	129.4210	0.000	1	130.4360	5.575	5	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	130.6898	2.646	4	130.6898	7.004	4	130.4360	5.575	5	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.9845	0.105	2	125.9845	0.011	2	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.5667	1.226	3	125.5667	1.502	3	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	131.0690	0.000	1	129.1325	1.250	18	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	128.1325	1.053	2	129.1325	1.250	18	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.1367	1.014	15	129.1325	1.250	18	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	130.8695	0.288	2	130.8695	0.083	2	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	127.4780	0.000	1	129.0934	1.078	5	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	129.0695	0.032	2	129.0934	1.078	5	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.9250	0.561	2	129.0934	1.078	5	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.1610	0.000	1	129.1610	0.000	1	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.1890	0.506	5	130.1890	0.256	5	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.4080	0.000	1	130.4080	0.000	1	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	129.9240	0.000	1	129.9240	0.000	1	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	131.1870	0.000	1	131.1870	0.000	1	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	130.0750	0.000	1	130.0750	0.000	1	129.0490	2.727	40	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){1|C<3>,1|N<3>}	127.8100	0.000	1	127.8100	0.000	1	127.6210	0.071	2	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH){2|C<3>}	127.4320	0.000	1	127.4320	0.000	1	127.6210	0.071	2	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2){6|C<3>}	126.4890	0.000	1	126.4890	0.000	1	126.4890	0.000	1	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.5076	1.215	5	128.5076	1.476	5	128.5076	1.476	5	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	124.4640	0.000	1	124.4640	0.000	1	124.4640	0.000	1	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){2|H<1>}	132.5045	0.370	2	132.5045	0.137	2	130.3562	9.548	5	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){2|H<1>}	130.8655	0.234	2	130.8655	0.055	2	130.3562	9.548	5	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NCH){1|C<3>}	125.0410	0.000	1	125.0410	0.000	1	130.3562	9.548	5	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:S[5a]-2:C-3:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<3>,1|O<1>}	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	128.9409	4.233	64	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3){2|C<3>}	126.8120	0.554	2	126.8120	0.307	2	126.7123	0.183	3	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3){2|C<3>}	126.5130	0.000	1	126.5130	0.000	1	126.7123	0.183	3	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	126.0860	0.000	1	126.0860	0.000	1	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	126.8150	0.000	1	126.8150	0.000	1	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	127.2385	0.157	4	127.2385	0.025	4	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	128.9640	0.653	2	128.9640	0.427	2	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	128.4540	0.000	1	128.4540	0.000	1	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	127.9100	0.000	1	127.9100	0.000	1	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	127.2018	0.681	6	127.2018	0.464	6	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	128.2755	1.061	2	128.2755	1.127	2	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	127.9975	0.213	2	127.9975	0.045	2	127.5952	0.745	20	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C){2|C<4>,4|C<3>}	126.9910	0.000	1	126.9910	0.000	1	126.9910	0.000	1	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	127.7880	0.000	1	127.7880	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	126.1450	0.598	2	126.1450	0.358	2	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	124.9700	0.000	1	124.9700	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	125.4940	0.000	1	125.4940	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	130.0090	0.000	1	130.0090	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	126.3947	0.545	3	126.4718	0.222	4	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	126.7030	0.000	1	126.4718	0.222	4	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	125.6340	0.000	1	125.6340	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CBrHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CBrHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.6650	0.000	1	125.6650	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.3216	0.308	8	125.3216	0.095	8	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHS)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHS)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.5560	0.000	1	125.5560	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CClHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CClHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.7050	0.000	1	125.7050	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHI)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHI)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.0180	0.000	1	125.0180	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	126.5060	0.000	1	126.5060	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|C<4>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	124.0320	0.000	1	125.4910	0.459	22	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.5604	0.608	21	125.4910	0.459	22	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHS)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHS)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	125.3400	0.891	4	125.3400	0.794	4	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CSeHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CSeHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	126.2380	0.000	1	126.2380	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH){1|H<1>,1|O<1>}	129.0410	0.000	1	129.0410	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	127.3560	0.000	1	127.3170	0.406	4	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	127.3040	0.780	3	127.3170	0.406	4	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	128.5770	0.000	1	128.5770	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	128.5980	0.000	1	128.5980	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	127.9584	0.198	8	127.9584	0.039	8	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	129.4180	0.000	1	129.4180	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	127.1380	0.000	1	127.1380	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	129.1160	0.000	1	129.1160	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO){1|S<2>}	128.3000	0.000	1	128.3000	0.000	1	126.3517	1.873	70	126.6346	1.806	94	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH){2|H<1>,3|C<4>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<4>}	122.3310	0.000	1	122.3310	0.000	1	122.5807	0.689	9	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH){1|Pt<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	122.6119	0.882	8	122.6119	0.778	8	122.5807	0.689	9	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6]C[5a,6,6a]B[6,6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6]C[5a,6,6a]B[6,6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	127.6010	0.000	1	127.6010	0.000	1	127.6010	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(O){1|H<1>,3|C<3>}	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.7453	0.362	3	125.7453	0.131	3	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H){4|C<3>}	126.2080	0.000	1	126.2080	0.000	1	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	123.7970	1.001	2	123.7970	1.003	2	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	124.5640	0.000	1	124.5640	0.000	1	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.6820	0.000	1	125.6820	0.000	1	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.8990	1.586	6	126.5792	2.451	10	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	127.5995	0.921	4	126.5792	2.451	10	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.1350	0.000	1	125.1350	0.000	1	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	124.3080	0.673	2	124.3080	0.453	2	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.4130	0.000	1	126.4130	0.000	1	125.7836	2.136	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(O){2|C<3>}	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	125.8090	0.000	1	125.8090	0.000	1	125.8090	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	117.2300	0.000	1	117.2300	0.000	1	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.0305	0.334	2	122.0305	0.112	2	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	123.7862	0.644	10	123.7862	0.414	10	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.2620	1.715	3	122.0757	2.100	4	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	121.5170	0.000	1	122.0757	2.100	4	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.5830	0.730	2	122.5830	0.533	2	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	121.6390	0.854	2	121.6390	0.730	2	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(O){1|N<3>,3|C<3>}	121.4480	0.000	1	121.4480	0.000	1	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|N<2>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){1|C<3>,1|N<2>}	122.5610	0.000	1	122.5610	0.000	1	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.9635	0.694	2	122.9635	0.481	2	122.6334	2.498	25	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	117.8810	0.000	1	117.8810	0.000	1	122.0665	8.353	4	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	122.5600	0.000	1	122.5600	0.000	1	122.0665	8.353	4	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	123.4220	0.000	1	123.4220	0.000	1	122.0665	8.353	4	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){1|C<3>,1|N<2>}	124.4030	0.000	1	124.4030	0.000	1	122.0665	8.353	4	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5,5a]H)2(CCHH){2|S<2>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	125.0650	3.173	2	125.0650	10.071	2	125.0650	10.071	2	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	120.4060	0.724	2	120.4060	0.524	2	120.1952	1.014	13	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	120.5130	0.000	1	119.3157	1.075	3	120.1952	1.014	13	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	118.7170	0.007	2	119.3157	1.075	3	120.1952	1.014	13	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	119.0110	0.000	1	119.0110	0.000	1	120.1952	1.014	13	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	120.7880	1.673	2	120.7880	2.799	2	120.1952	1.014	13	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	120.4513	0.405	4	120.4513	0.164	4	120.1952	1.014	13	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	121.3870	0.000	1	121.3870	0.000	1	120.1952	1.014	13	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	123.6180	0.165	4	123.6180	0.027	4	123.7932	0.889	45	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|C<2>,1|O<1>,2|C<3>}	123.7639	0.659	8	123.7602	1.196	22	123.7932	0.889	45	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7190	1.442	6	123.7602	1.196	22	123.7932	0.889	45	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	123.7874	1.290	8	123.7602	1.196	22	123.7932	0.889	45	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9838	0.717	4	123.9838	0.514	4	123.7932	0.889	45	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8485	0.971	13	123.8485	0.942	13	123.7932	0.889	45	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(N[5a]C[5a]2)(CHHS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CHHS)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7670	0.860	2	123.7670	0.739	2	123.7932	0.889	45	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:S-1:	N[5a](C[5a]C[5a,6a]S)2(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	N[5a](C[5a]C[5a,6a]S)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	124.1205	0.151	2	124.1205	0.023	2	124.1205	0.023	2	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Br){1|C<4>}	125.3220	0.000	1	125.3220	0.000	1	125.3220	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Ni<4>,1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Ni<4>,1|C<3>}	119.0920	0.000	1	119.0920	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	124.0560	0.000	1	124.6197	3.126	4	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	124.8077	2.116	3	124.6197	3.126	4	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	122.6787	1.018	3	122.6787	1.037	3	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	122.8520	0.000	1	123.1220	0.146	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.3920	0.000	1	123.1220	0.146	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	124.1670	0.000	1	124.1670	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.3460	0.621	2	123.3460	0.385	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	123.6065	1.500	2	123.6065	2.249	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	122.1890	0.000	1	122.1890	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	128.5080	0.000	1	125.7896	3.063	5	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	125.1100	1.003	4	125.7896	3.063	5	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	125.7660	0.000	1	125.7660	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	124.8550	0.000	1	124.8550	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.9772	1.698	4	127.9772	2.884	4	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.2948	2.895	62	126.2948	8.381	62	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	125.7887	1.373	11	125.7887	1.884	11	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CFNN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CFNN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	125.1800	0.000	1	125.1800	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	129.9440	4.890	2	129.9440	23.916	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	126.6860	0.000	1	126.6860	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.0660	0.467	2	127.0660	0.218	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN[5]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CN[5]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.3170	0.000	1	126.3170	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.5690	0.308	2	127.5690	0.095	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<2>}	125.0420	0.000	1	123.3303	2.363	3	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	122.4745	0.576	2	123.3303	2.363	3	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	124.3345	0.494	2	124.3345	0.244	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CC3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	125.8635	1.165	6	125.8635	1.357	6	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	126.1492	2.915	4	126.1492	8.496	4	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	125.1655	1.856	2	125.1655	3.445	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	123.6345	1.019	8	123.6345	1.037	8	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.9790	0.000	1	124.9790	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.0220	0.000	1	124.0220	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	123.8340	0.612	2	123.8340	0.375	2	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHP)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH){1|C<4>}	C(N[5a]C[5a]2)(CHHP)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|Ir<8>}	124.6510	0.000	1	124.6510	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Ru<5>}	125.5860	0.000	1	125.5860	0.000	1	125.6403	6.621	140	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O){1|H<1>,1|S<1>}	123.0365	0.448	2	123.0365	0.200	2	120.7111	1.349	16	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|C<3>}	121.2110	0.000	1	121.2110	0.000	1	120.7111	1.349	16	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	119.9020	0.539	5	119.9020	0.290	5	120.7111	1.349	16	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	121.1900	0.679	2	121.1900	0.461	2	120.7111	1.349	16	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	121.1210	0.000	1	121.1210	0.000	1	120.7111	1.349	16	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	120.3582	0.779	4	120.3582	0.607	4	120.7111	1.349	16	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(O){1|S<1>,2|C<3>}	119.6490	0.000	1	119.6490	0.000	1	120.7111	1.349	16	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:S-1:	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S){1|C<3>,1|O<1>,1|S<2>}	123.8243	0.681	4	123.8243	0.464	4	123.8243	0.464	4	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<3>}	121.9005	1.852	4	121.9005	3.429	4	123.7238	1.645	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>}	123.9855	0.521	6	123.9855	0.271	6	123.7238	1.645	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|N<2>}	123.8230	0.000	1	123.8230	0.000	1	123.7238	1.645	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>}	124.3373	0.729	9	124.3373	0.532	9	123.7238	1.645	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<4>,2|C<3>}	124.6520	0.000	1	124.6520	0.000	1	123.7238	1.645	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>}	122.8980	0.000	1	122.8980	0.000	1	123.7238	1.645	22	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:S-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(S)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(S){1|C<3>,1|O<1>}	126.1325	0.158	2	126.1325	0.025	2	126.1325	0.025	2	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O){2|C<3>,2|H<1>}	126.0880	0.185	2	126.0880	0.034	2	126.0880	0.034	2	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	129.2340	0.000	1	129.2340	0.000	1	129.2340	0.000	1	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH)	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H)	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H){1|Mo<6>,1|C<4>}	121.3330	0.840	6	121.3330	0.706	6	121.3330	0.706	6	124.3028	6.750	322	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS){2|C<3>}	128.3680	0.000	1	128.3680	0.000	1	128.3680	0.000	1	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	125.8737	0.655	7	125.8737	0.429	7	125.8737	0.429	7	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	127.9310	0.000	1	127.9310	0.000	1	129.8543	1.154	6	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	129.6090	0.000	1	130.3132	0.406	4	129.8543	1.154	6	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.5480	0.528	3	130.3132	0.406	4	129.8543	1.154	6	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	129.9420	0.000	1	129.9420	0.000	1	129.8543	1.154	6	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	129.7670	0.000	1	129.7670	0.000	1	129.7670	0.000	1	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<2>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN){1|H<1>}	126.9290	0.000	1	126.9290	0.000	1	126.9290	0.000	1	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	126.8370	0.000	1	126.8370	0.000	1	129.2529	1.784	11	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	129.7223	1.139	8	129.7223	1.297	8	129.2529	1.784	11	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	128.2190	0.000	1	128.2190	0.000	1	129.2529	1.784	11	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	128.9480	0.000	1	128.9480	0.000	1	129.2529	1.784	11	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]S[5a]S)(N[5a]C[5a]C)(SAu)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|S<2>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]S[5a]S)(N[5a]C[5a]C)(SAu){1|O<1>}	124.8390	0.000	1	124.8390	0.000	1	124.8390	0.000	1	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	126.6570	0.580	2	127.4715	1.319	6	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	127.8787	1.193	4	127.4715	1.319	6	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	128.6918	0.484	5	128.6918	0.235	5	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	127.0580	0.000	1	127.0580	0.000	1	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|P<4>,2|C<3>}	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	126.7680	0.000	1	126.7680	0.000	1	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	128.9130	0.717	2	128.9130	0.514	2	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH){1|C<4>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	126.4820	0.000	1	126.4820	0.000	1	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	127.8310	0.000	1	127.8310	0.000	1	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	132.5090	0.000	1	129.0282	5.697	4	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	127.8680	0.685	3	129.0282	5.697	4	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(CCHH){2|C<3>,2|N<2>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,3|C<3>}	127.7425	0.709	2	127.7425	0.503	2	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	126.8180	1.435	2	126.8180	2.060	2	127.9795	1.888	25	128.1399	2.970	53	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCO)	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>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCO){1|C<3>,1|C<4>}	127.2310	0.000	1	127.2310	0.000	1	127.2310	0.000	1	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H){1|H<1>,3|C<3>}	125.0640	0.000	1	125.0640	0.000	1	125.0640	0.000	1	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO)	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>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO){2|C<3>}	128.1390	0.000	1	128.1390	0.000	1	128.1390	0.000	1	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	129.1290	0.000	1	129.1290	0.000	1	129.1290	0.000	1	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.8510	0.000	1	125.8510	0.000	1	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,4|C<3>}	123.5080	0.000	1	123.5770	0.010	2	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	123.6460	0.000	1	123.5770	0.010	2	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.6610	0.000	1	127.6610	0.000	1	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	123.2000	0.000	1	123.2000	0.000	1	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.4240	0.000	1	126.9850	0.629	2	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.5460	0.000	1	126.9850	0.629	2	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	126.2760	0.000	1	126.2760	0.000	1	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.6590	0.000	1	125.6590	0.000	1	125.5301	2.893	9	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[3]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH)	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	125.4610	0.000	1	125.4610	0.000	1	125.4610	0.000	1	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	128.0860	0.816	2	128.0860	0.666	2	128.6338	0.557	6	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	127.9820	0.000	1	127.9820	0.000	1	128.6338	0.557	6	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.2025	0.271	2	129.2025	0.073	2	128.6338	0.557	6	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.2440	0.000	1	129.2440	0.000	1	128.6338	0.557	6	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.6850	1.775	2	127.6850	3.150	2	127.2499	1.426	7	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	125.5650	0.000	1	127.2890	1.323	4	127.2499	1.426	7	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.8637	0.054	3	127.2890	1.323	4	127.2499	1.426	7	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	126.2230	0.000	1	126.2230	0.000	1	127.2499	1.426	7	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Ni<4>,1|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>}	133.5380	0.000	1	133.5380	0.000	1	133.5380	0.000	1	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,1|O<2>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>,2|C<3>}	128.4820	0.000	1	128.4820	0.000	1	126.0388	2.064	5	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)2(CCHH)	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	125.2890	0.772	2	125.2890	0.596	2	126.0388	2.064	5	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)2(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)2(CCHH){2|Br<1>,2|C<3>,2|S<2>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	125.5670	0.348	2	125.5670	0.121	2	126.0388	2.064	5	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	124.5635	0.414	2	124.5635	0.171	2	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,3|C<3>}	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){4|H<1>,5|C<3>}	126.5920	0.000	1	126.5920	0.000	1	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	125.2785	1.318	6	125.2785	1.737	6	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	124.2736	0.508	5	124.2736	0.258	5	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	124.4320	0.000	1	124.4320	0.000	1	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	125.8420	1.063	2	125.8420	1.131	2	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	127.0310	0.000	1	127.0310	0.000	1	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,1|O<2>,2|N<3>}	124.7160	0.000	1	124.7160	0.000	1	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	128.4760	1.789	2	128.4760	3.200	2	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	128.6705	1.951	2	128.6705	3.806	2	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH){3|C<3>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<2>,2|H<1>,4|C<3>}	126.6220	0.000	1	126.6220	0.000	1	125.7307	3.083	24	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCC){2|H<1>}	125.9980	0.000	1	125.9980	0.000	1	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6]N)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6]N){2|H<1>}	125.9065	2.870	2	125.9065	8.238	2	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	127.9890	0.000	1	127.9890	0.000	1	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){1|H<1>,1|N<3>}	127.7800	1.635	2	127.7800	2.673	2	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|H<1>,1|N<3>}	128.1810	0.000	1	128.1810	0.000	1	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){2|H<1>}	127.9570	0.000	1	127.9570	0.000	1	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|H<1>}	128.0760	0.000	1	128.0760	0.000	1	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O){2|H<1>}	127.5975	0.930	2	127.5975	0.865	2	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6a]C){1|C<3>}	124.4810	0.000	1	124.4810	0.000	1	127.1042	2.524	12	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CBrHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CBrHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	128.9230	0.000	1	128.9230	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	129.1604	0.331	8	129.1604	0.110	8	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCHS)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CCHS)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	129.3470	0.000	1	129.3470	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CClHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CClHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	128.7870	0.000	1	128.7870	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHI)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHI)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	129.2320	0.000	1	129.2320	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	128.3470	0.000	1	128.3470	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|C<4>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO){1|C<4>}	130.0420	0.000	1	130.0420	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	130.2340	0.000	1	129.1481	0.297	22	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHO)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	129.0964	0.501	21	129.1481	0.297	22	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CHHS)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CHHS)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	129.1022	0.779	4	129.1022	0.607	4	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(N[5a]C[5a]2)(CSeHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(N[5a]C[5a]2)(CSeHH)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	128.9860	0.000	1	128.9860	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>}	128.6560	0.000	1	128.6560	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a]C)(NOO){1|H<1>,2|C<4>}	130.1873	0.093	3	130.1873	0.009	3	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|C<3>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH){1|H<1>}	126.6950	0.000	1	126.6950	0.000	1	129.1419	0.446	46	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]2)(CCHO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2){2|C<4>,5|H<1>}	126.5292	0.864	5	126.5292	0.746	5	126.5292	0.746	5	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Br<1>,1|C<4>}	122.9365	0.094	2	122.9365	0.009	2	122.6290	0.655	14	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	122.1160	1.433	2	122.1160	2.052	2	122.6290	0.655	14	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]Cd)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Cd)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Cd<4>,1|C<4>}	123.0130	0.206	2	123.0130	0.043	2	122.6290	0.655	14	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	122.3535	1.263	4	122.3535	1.594	4	122.6290	0.655	14	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|S<2>}	122.8645	0.176	2	122.8645	0.031	2	122.6290	0.655	14	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Se<2>,1|C<4>}	122.7660	0.372	2	122.7660	0.138	2	122.6290	0.655	14	127.0436	5.913	134	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3)	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>}	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3){1|C<3>,1|C<4>}	125.2990	0.000	1	125.2990	0.000	1	125.2990	0.000	1	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	125.2360	0.000	1	125.2360	0.000	1	126.6051	0.475	7	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH){2|C<3>}	127.0380	0.000	1	127.0380	0.000	1	126.6051	0.475	7	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	127.0890	0.474	2	127.0890	0.224	2	126.6051	0.475	7	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	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>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	126.3610	0.000	1	126.4940	0.035	2	126.6051	0.475	7	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	126.6270	0.000	1	126.4940	0.035	2	126.6051	0.475	7	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	126.7960	0.000	1	126.7960	0.000	1	126.6051	0.475	7	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CHHN)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC3){2|H<1>}	126.7980	0.000	1	126.7980	0.000	1	125.1031	1.482	16	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	125.2220	0.105	2	125.2220	0.011	2	125.1031	1.482	16	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]C)2(CCHH){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){1|C<3>,1|C<4>}	125.6550	0.000	1	125.6550	0.000	1	125.1031	1.482	16	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CCHH)	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CCHH){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(CH3)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|C<4>}	124.5250	0.000	1	124.5250	0.000	1	125.1031	1.482	16	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(CCHH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CCHH){2|C<3>}	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	124.7921	1.570	8	124.7921	2.464	8	125.1031	1.482	16	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	C(N[5a]C[5a]2)(CC[6]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCCH){2|C<3>}	125.5190	0.502	2	125.5190	0.252	2	125.1031	1.482	16	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|P<4>,2|C<3>}	C(N[5a]C[5a]2)(CCCH)(H)2	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3){1|C<3>}	124.8530	0.000	1	124.8530	0.000	1	125.1031	1.482	16	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH){1|C<4>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O){1|C<3>}	126.7770	0.000	1	126.7770	0.000	1	126.7770	0.000	1	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH)	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH){2|C<3>}	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	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>}	123.1615	2.659	2	123.1615	7.073	2	123.1615	7.073	2	125.4180	2.140	27	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH){1|O<2>,3|H<1>,4|C<4>}	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,2|H<1>,3|C<4>}	126.5260	0.000	1	126.5260	0.000	1	126.5260	0.000	1	127.0530	0.719	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	126.6020	0.000	1	126.6020	0.000	1	127.3165	1.021	2	127.0530	0.719	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	C(N[5a]C[5a]2)(CCHH)(H)2	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){3|C<4>,4|H<1>}	128.0310	0.000	1	128.0310	0.000	1	127.3165	1.021	2	127.0530	0.719	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:2:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:S-2:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.2800	0.000	1	126.2800	0.000	1	126.2800	0.000	1	126.2800	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	126.1540	0.000	1	126.1540	0.000	1	126.1540	0.000	1	126.1540	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCCH)	C(N[5a]C[5a]2)(CCHH)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8047	6.497	3	123.8047	42.213	3	123.8047	42.213	3	124.1049	10.309	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	124.9885	0.158	2	124.9885	0.025	2	124.1980	1.295	5	124.1049	10.309	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	123.6710	1.240	3	123.6710	1.537	3	124.1980	1.295	5	124.1049	10.309	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a]N)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a]N)(O){1|C<4>,1|H<1>}	124.3225	1.662	2	124.3225	2.764	2	124.3225	2.764	2	124.1049	10.309	10	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	126.6395	0.163	2	126.6395	0.027	2	127.5864	2.611	5	127.5864	2.611	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	128.2177	1.927	3	128.2177	3.715	3	127.5864	2.611	5	127.5864	2.611	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	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>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	123.5770	0.000	1	123.5770	0.000	1	123.5770	0.000	1	124.2670	0.952	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.9570	0.000	1	124.9570	0.000	1	124.9570	0.000	1	124.2670	0.952	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH){1|H<1>,1|N<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3){1|N<3>,1|O<1>}	125.1215	0.795	2	125.1215	0.633	2	125.2633	0.377	3	125.2633	0.377	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<3>,1|H<1>}	125.5470	0.000	1	125.5470	0.000	1	125.2633	0.377	3	125.2633	0.377	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	126.7390	1.837	3	126.7390	3.375	3	126.7390	3.375	3	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|Cl<1>,2|N<2>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.2570	0.000	1	127.9503	0.365	3	128.3267	1.769	29	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	128.2970	0.091	2	127.9503	0.365	3	128.3267	1.769	29	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	128.4992	1.334	24	128.4992	1.779	24	128.3267	1.769	29	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	126.8205	1.483	2	126.8205	2.199	2	128.3267	1.769	29	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.4790	0.000	1	126.4790	0.000	1	125.9811	1.632	7	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.9800	0.000	1	126.9800	0.000	1	125.9811	1.632	7	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	126.9470	0.000	2	125.6818	2.025	5	125.9811	1.632	7	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	124.8383	1.175	3	125.6818	2.025	5	125.9811	1.632	7	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH)	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(O){2|H<1>}	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	127.6315	3.505	40	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){2|C<3>}	127.5650	0.000	1	127.5650	0.000	1	127.5650	0.000	1	127.5650	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	125.8770	0.000	1	125.8770	0.000	1	125.8770	0.000	1	127.2024	1.717	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.8460	0.615	2	125.8460	0.378	2	126.8660	3.310	3	127.2024	1.717	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	128.9060	0.000	1	128.9060	0.000	1	126.8660	3.310	3	127.2024	1.717	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){2|C<3>}	126.6570	0.000	1	126.6570	0.000	1	126.6570	0.000	1	127.2024	1.717	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO){2|H<1>}	128.0080	0.314	2	128.0080	0.099	2	128.1623	0.121	3	127.2024	1.717	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]O){2|H<1>}	128.4710	0.000	1	128.4710	0.000	1	128.1623	0.121	3	127.2024	1.717	8	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:Si-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SiC3){2|C<3>}	125.6727	0.335	6	125.6727	0.112	6	125.6727	0.112	6	125.6727	0.112	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){2|C<3>}	125.8720	0.000	1	125.8720	0.000	1	126.5645	0.959	2	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	127.2570	0.000	1	127.2570	0.000	1	126.5645	0.959	2	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	125.3940	0.000	1	125.3940	0.000	1	125.3940	0.000	1	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCCH)	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|C<2>,1|O<1>,2|C<3>}	124.0430	2.576	4	124.0430	6.637	4	124.0343	4.615	6	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(CCCH)	C(N[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	C(N[5a]C[5a]2)(CCHH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0170	1.779	2	124.0170	3.165	2	124.0343	4.615	6	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	123.6580	0.281	2	123.6580	0.079	2	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	126.0683	0.734	3	126.0683	0.538	3	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.8240	0.000	1	126.8240	0.000	1	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.2010	0.000	1	127.2010	0.000	1	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	125.8880	0.000	2	125.8880	0.000	2	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.4367	1.778	3	126.4367	3.160	3	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH)	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H){1|O<1>}	123.6600	0.000	1	123.6600	0.000	1	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH){1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Pt<4>}	124.5870	0.000	1	124.5870	0.000	1	125.6342	2.060	14	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH){1|C<4>,2|C<3>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H){1|N<2>,2|C<3>}	123.9790	0.000	1	123.9790	0.000	1	123.9790	0.000	1	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH){2|C<3>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O){1|N<2>,3|C<3>}	124.3840	0.127	2	124.3840	0.016	2	124.5945	0.112	4	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)2(CCCH){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	125.0710	0.000	1	125.0710	0.000	1	124.5945	0.112	4	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)2(CCCH){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a]C)(O){1|O<1>,2|C<4>,2|H<1>}	124.5390	0.000	1	124.5390	0.000	1	124.5945	0.112	4	125.0239	2.851	29	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH){2|C<3>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>}	123.6475	0.456	2	123.6475	0.208	2	123.6475	0.208	2	125.8753	7.593	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH){1|S<2>,4|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	128.7640	0.000	1	128.7640	0.000	1	128.7640	0.000	1	125.8753	7.593	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	123.1460	0.000	1	123.1460	0.000	1	126.2670	8.822	4	125.8753	7.593	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	124.3240	0.000	1	126.6880	11.177	2	126.2670	8.822	4	125.8753	7.593	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	129.0520	0.000	1	126.6880	11.177	2	126.2670	8.822	4	125.8753	7.593	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|N<2>,4|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	128.5460	0.000	1	128.5460	0.000	1	126.2670	8.822	4	125.8753	7.593	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCH){4|C<3>}	125.3065	0.855	4	125.3065	0.732	4	125.3065	0.732	4	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH){1|S<2>,4|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	124.4830	0.000	1	124.4830	0.000	1	126.4204	7.503	5	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	129.9950	0.000	1	129.9950	0.000	1	126.4204	7.503	5	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|N<2>,4|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	124.7630	0.000	1	125.8747	6.293	3	126.4204	7.503	5	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	126.4305	3.276	2	125.8747	6.293	3	126.4204	7.503	5	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>}	128.1725	0.238	2	128.1725	0.057	2	128.1725	0.057	2	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C)	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C){1|N<2>,2|C<3>,2|C<4>}	125.4600	0.000	1	125.4600	0.000	1	123.7530	2.321	3	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(NCC)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(NCC){1|C<3>,1|C<4>,1|N<2>}	123.2680	0.000	1	123.2680	0.000	1	123.7530	2.321	3	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a]C[6a])(N[5a]C[5a]C)(NCH)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](N[5a]B[5a]C[6a])(N[5a]C[5a]C)(NCH){1|N<2>,2|C<3>,2|C<4>}	122.5310	0.000	1	122.5310	0.000	1	123.7530	2.321	3	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH)	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|N<3>}	121.8395	0.316	2	121.8395	0.100	2	121.8395	0.100	2	125.2882	6.061	16	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	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>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	126.8400	0.000	1	126.8400	0.000	1	126.8400	0.000	1	126.8400	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	B[5a,6,6]-4:N[5a]-3:N-2:	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	124.0400	0.000	1	124.0400	0.000	1	124.0400	0.000	1	124.4933	0.276	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	B[5a]-4:N[5a]-3:N-2:	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH){1|C<4>,2|C<3>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC){1|C<4>,1|H<1>,4|C<3>}	124.0730	0.000	1	124.0730	0.000	1	124.6443	0.278	3	124.4933	0.276	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	B[5a]-4:N[5a]-3:N-2:	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	124.7490	0.000	1	124.9300	0.066	2	124.6443	0.278	3	124.4933	0.276	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:1:	4:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	B[5a]-4:N[5a]-3:N-2:	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH)	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	C(N[5a]C[5a]2)(CH3)2(H)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|H<1>,1|N<3>,5|C<4>}	125.1110	0.000	1	124.9300	0.066	2	124.6443	0.278	3	124.4933	0.276	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-3:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|H<1>}	127.7625	0.272	2	127.7625	0.074	2	127.7625	0.074	2	127.7625	0.074	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	127.2360	0.000	1	127.2360	0.000	1	127.1267	0.075	3	127.1267	0.075	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	127.0720	0.363	2	127.0720	0.132	2	127.1267	0.075	3	127.1267	0.075	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.8790	0.000	1	126.8790	0.000	1	126.8790	0.000	1	126.3905	0.512	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	125.8090	0.474	3	125.8090	0.225	3	126.2928	0.568	5	126.3905	0.512	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Br<1>}	127.0185	0.262	2	127.0185	0.069	2	126.2928	0.568	5	126.3905	0.512	6	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	127.5965	0.319	2	127.5965	0.102	2	127.5965	0.102	2	125.4123	14.363	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	121.0440	0.000	1	121.0440	0.000	1	121.0440	0.000	1	125.4123	14.363	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	129.3380	0.359	2	129.3380	0.129	2	129.3380	0.129	2	129.3380	0.129	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	131.2120	0.000	1	130.7740	0.146	3	130.7740	0.146	3	129.9630	1.309	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.5550	0.066	2	130.7740	0.146	3	130.7740	0.146	3	129.9630	1.309	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:S-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRh2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|C<4>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRh2){1|C<4>,1|H<1>}	128.7465	0.098	2	128.7465	0.010	2	128.7465	0.010	2	129.9630	1.309	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O){2|H<1>}	128.8210	0.000	1	128.8210	0.000	1	131.7800	6.640	3	131.7800	6.640	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S){2|H<1>}	132.9880	0.000	1	132.9880	0.000	1	131.7800	6.640	3	131.7800	6.640	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se){2|H<1>}	133.5310	0.000	1	133.5310	0.000	1	131.7800	6.640	3	131.7800	6.640	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	B[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]B[5a,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]B[5a,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	119.9405	0.429	2	121.1130	4.216	3	121.1130	4.216	3	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	B[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]B[5a,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	C(N[5a]B[5a,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	123.4580	0.000	1	121.1130	4.216	3	121.1130	4.216	3	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	B[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3)	C(N[5a]B[5a]C[5a])(CH3)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H)	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3){2|C<3>,2|N<3>}	C(N[5a]B[5a]C[5a])(CH3)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	B[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	C(N[5a]B[5a]C[5a])(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]B[5a]C[5a])(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	120.9470	0.753	6	120.9470	0.566	6	120.6336	0.905	8	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	B[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3)	C(N[5a]B[5a]C[5a])(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C(N[5a]B[5a]C[5a])(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	119.6935	1.071	2	119.6935	1.148	2	120.6336	0.905	8	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6]C[5a])(CH3)3	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]C[5a])(CH3)3	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H){1|C<4>,1|N<3>}	125.3595	0.405	2	125.3595	0.164	2	125.3595	0.164	2	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	126.2047	0.472	3	126.2047	0.222	3	125.4110	1.295	5	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|Ge<3>,1|B<4>}	124.2205	0.107	2	124.2205	0.011	2	125.4110	1.295	5	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CH3)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	127.2600	0.000	1	127.2600	0.000	1	127.2600	0.000	1	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)2(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)2(CC3){2|S<2>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|S<2>}	127.1680	4.537	2	127.1680	20.583	2	127.1680	20.583	2	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	123.9630	0.000	1	123.9630	0.000	1	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|N<3>,3|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|N<3>,3|C<3>}	119.9920	0.000	1	119.9920	0.000	1	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<2>}	125.5093	0.490	3	125.1150	0.411	5	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<3>}	124.5235	0.008	2	125.1150	0.411	5	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	126.8300	0.000	1	127.4194	0.183	7	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	127.5177	0.373	6	127.4194	0.183	7	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){2|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	127.3730	0.082	2	127.3730	0.007	2	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	122.5893	2.225	3	122.5893	4.950	3	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|C<4>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|S<3>}	125.8305	0.114	2	125.8305	0.013	2	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	125.2510	0.693	2	125.2510	0.480	2	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|H<1>}	126.4398	1.584	4	126.4398	2.508	4	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H){1|O<2>,2|C<3>,2|H<1>}	127.5200	0.000	1	127.5200	0.000	1	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	125.2096	1.557	5	125.2096	2.423	5	125.6203	4.060	33	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)2(O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)2(O){1|C<3>,1|H<1>}	119.7290	0.000	1	119.7290	0.000	1	123.4547	1.817	10	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(O){1|C<3>,1|H<1>}	123.9443	0.370	6	123.8972	0.124	8	123.4547	1.817	10	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){2|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	123.7560	0.363	2	123.8972	0.124	8	123.4547	1.817	10	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)2(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(CH3)3	C[5a](N[5a]C[5a]C)2(O){1|C<3>,1|H<1>}	123.6400	0.000	1	123.6400	0.000	1	123.4547	1.817	10	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:1:	Si[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](Si[5a]N[5a]Ru)(C[5a]C[5a]H)(CC3)	C(N[5a]Si[5a]C[5a])(CH3)3	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]Ru)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C(N[5a]Si[5a]C[5a])(CH3)3	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H){1|Ru<5>,1|C<4>}	116.0105	1.391	2	116.0105	1.935	2	116.0105	1.935	2	124.1600	8.946	67	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	125.1470	3.522	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]F)(N[5a]C[5a]C)(CN)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3){1|F<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]F)(N[5a]C[5a]C)(CN){1|C<3>,1|H<1>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	125.1470	3.522	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC){1|C<2>,1|H<1>}	126.4173	0.489	3	126.4173	0.239	3	126.4173	0.239	3	125.1470	3.522	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3)	C(N[5a]C[5,5a]C[5a])(CH3)3	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C(N[5a]C[5,5a]C[5a])(CH3)3	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH){1|C<4>,3|C<3>}	130.7830	0.000	1	130.7830	0.000	1	130.7830	0.000	1	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3){1|F<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	130.7480	0.000	1	130.7480	0.000	1	129.5402	1.910	4	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	128.3260	0.000	1	128.3260	0.000	1	129.5402	1.910	4	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|N<3>,3|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	128.3610	0.000	1	128.3610	0.000	1	129.5402	1.910	4	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	130.7260	0.000	1	130.7260	0.000	1	129.5402	1.910	4	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){1|C<3>,1|N<3>}	126.9950	0.000	1	126.9950	0.000	1	126.9950	0.000	1	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH){1|C<4>,3|C<3>}	125.1770	0.000	1	125.1770	0.000	1	126.7370	1.837	3	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	C(N[5a]C[5a]2)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCH){1|C<2>,1|H<1>}	127.5170	0.156	2	127.5170	0.024	2	126.7370	1.837	3	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|B<4>,1|C<4>}	125.6045	0.199	2	125.6045	0.039	2	124.8510	0.441	12	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	124.6950	0.323	4	124.6950	0.105	4	124.8510	0.441	12	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Cl<1>,1|C<4>}	125.4430	0.776	2	125.4430	0.603	2	124.8510	0.441	12	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3)	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	C(N[5a]Ge[5a]C[5a])(CH3)3	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	124.3342	0.546	4	124.3342	0.298	4	124.8510	0.441	12	126.3982	5.120	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:5:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-5:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){1|C<3>,1|N<3>}	128.1170	0.000	1	128.1170	0.000	1	128.1170	0.000	1	128.1170	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[4,6]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH)	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH){1|H<1>}	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	125.2735	0.698	2	125.2735	0.487	2	125.2735	0.487	2	126.0935	0.815	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.0972	1.210	5	126.0972	1.463	5	126.1836	0.797	9	126.0935	0.815	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH)	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH){1|C<3>}	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	126.2915	0.382	4	126.2915	0.146	4	126.1836	0.797	9	126.0935	0.815	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:2:1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	126.9230	0.000	1	126.9230	0.000	1	126.9230	0.000	1	126.0935	0.815	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[4,6]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH)	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH){1|H<1>}	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	128.0075	0.790	2	128.0075	0.624	2	128.0075	0.624	2	127.5219	1.517	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	127.3276	1.398	5	127.3276	1.955	5	127.3276	1.955	5	127.5219	1.517	7	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH)	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH){1|C<3>}	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH){1|H<1>}	126.5027	0.200	4	126.5027	0.040	4	126.5027	0.040	4	126.3590	0.133	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:1:1:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	125.7840	0.000	1	125.7840	0.000	1	125.7840	0.000	1	126.3590	0.133	5	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:4:1:	3:2:3:	C[5a]-3:C[5a]-3:C-4:	C[5]-4:N[5a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH){1|H<1>}	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2){2|H<1>}	128.0990	0.000	1	128.0990	0.000	1	128.0990	0.000	1	128.0990	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	4:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C-4:	C[5]-4:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH){1|H<1>}	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	124.9970	0.000	1	124.9970	0.000	1	124.9970	0.000	1	124.9970	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:4:2:	3:3:3:1:	3:3:3:	C[5a]-3:C-4:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	126.5635	0.623	2	126.5635	0.388	2	126.5635	0.388	2	126.7320	0.172	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:4:2:	3:3:3:1:	3:3:3:	C[5a]-3:C-4:N[5a]-2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	126.9005	0.118	2	126.9005	0.014	2	126.9005	0.014	2	126.7320	0.172	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:4:2:	3:3:3:1:	3:3:4:	C[5a]-3:C-4:N[5a]-2:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	127.2465	0.218	2	127.2465	0.048	2	127.2465	0.048	2	127.2465	0.048	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:4:2:	3:3:3:3:	3:3:1:	C[5a]-3:C-4:N[5a]-2:	N[5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	125.3930	0.000	1	125.3930	0.000	1	125.3930	0.000	1	125.3930	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	3:4:3:	6:3:1:1:	3:2:2:	C[5a,6a]-3:C-4:C[5a]-3:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N){1|O<1>,2|N<3>}	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH){1|C<3>,1|N<3>}	125.4720	0.000	1	125.4720	0.000	1	125.4720	0.000	1	125.4720	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	127.9380	0.000	1	127.9380	0.000	1	127.9380	0.000	1	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	127.3190	1.695	4	127.3190	2.873	4	128.1454	2.475	26	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.3593	2.115	4	128.3593	4.471	4	128.1454	2.475	26	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.1488	1.346	4	128.1488	1.811	4	128.1454	2.475	26	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.3195	1.546	14	128.3195	2.389	14	128.1454	2.475	26	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	127.8960	1.814	2	127.3785	1.571	30	127.3785	1.571	30	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	127.3340	0.964	4	127.3785	1.571	30	127.3785	1.571	30	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	127.3428	1.301	24	127.3785	1.571	30	127.3785	1.571	30	127.7381	2.065	57	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	126.8500	0.728	2	126.8500	0.530	2	126.8500	0.530	2	127.5752	5.254	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.4545	3.067	6	128.4545	9.409	6	128.4545	9.409	6	127.5752	5.254	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	126.6190	0.540	4	126.6190	0.292	4	126.6190	0.292	4	127.5752	5.254	12	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.3236	1.482	12	128.3236	2.197	12	127.6435	9.715	21	127.6435	9.715	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	126.7368	4.433	9	126.7368	19.647	9	127.6435	9.715	21	127.6435	9.715	21	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	128.0070	0.474	2	127.8812	0.417	4	127.8812	0.417	4	128.8636	1.297	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	127.7555	0.982	2	127.8812	0.417	4	127.8812	0.417	4	128.8636	1.297	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	129.0090	1.283	2	129.0090	1.645	2	129.0090	1.645	2	128.8636	1.297	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	130.8220	0.669	2	130.8220	0.447	2	129.3184	1.200	8	128.8636	1.297	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.7860	0.533	2	128.7860	0.284	2	129.3184	1.200	8	128.8636	1.297	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	128.8328	0.739	4	128.8328	0.546	4	129.3184	1.200	8	128.8636	1.297	14	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	129.6685	0.834	2	129.6685	0.695	2	129.6685	0.695	2	129.3300	0.801	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:3:3:4:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	128.9915	1.118	2	128.9915	1.250	2	128.9915	1.250	2	129.3300	0.801	4	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:2:	3:4:3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a])	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	127.6250	0.000	1	127.6250	0.000	1	127.6250	0.000	1	127.6250	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:2:1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	129.0500	0.000	1	129.0500	0.000	1	129.0500	0.000	1	129.0500	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:3:	4:3:1:1:	3:2:1:	C-4:C[5a]-3:C[5a]-3:	C[3x4,3x6]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	126.5445	0.125	2	126.5445	0.016	2	126.5445	0.016	2	126.5445	0.016	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:3:	4:3:1:1:	3:3:1:	C-4:C[5a]-3:C[5a]-3:	C[3x4,3x6]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	126.5835	0.405	2	126.5835	0.164	2	126.5835	0.164	2	126.5835	0.164	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:4:	3:3:1:1:	3:3:3:	B[5a]-4:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH){2|F<1>}	123.5150	0.000	1	123.5150	0.000	1	123.5150	0.000	1	124.1760	0.708	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:4:	3:3:1:1:	3:3:3:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	C(N[5a]B[5a]C[5a])(COO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	C(N[5a]B[5a]C[5a])(COO)(H)2	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH){2|F<1>}	124.5065	0.872	2	124.5065	0.760	2	124.5065	0.760	2	124.1760	0.708	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:4:	3:4:1:1:	3:3:1:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH)	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH){1|C<3>}	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(H){2|F<1>}	126.1470	1.768	2	126.1470	3.125	2	126.1470	3.125	2	126.1470	3.125	2	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:4:	3:4:3:1:	3:3:3:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH){2|F<1>}	126.4265	3.252	2	126.4265	10.575	2	125.1997	9.803	3	125.1997	9.803	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:4:	3:4:3:1:	3:3:3:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH){2|F<1>}	122.7460	0.000	1	122.7460	0.000	1	125.1997	9.803	3	125.1997	9.803	3	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:4:	3:4:4:1:	3:3:1:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH)	C(N[5a]B[5a]C[5a])(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H)	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH){1|C<4>,1|N<2>,4|C<3>}	C(N[5a]B[5a]C[5a])(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H){1|N<2>,2|C<3>}	121.8610	0.000	1	121.8610	0.000	1	121.8610	0.000	1	121.8610	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP2_SP2_SP3	N[5a]	C	C[5a]	4:3:4:	3:4:4:1:	3:3:3:	B[5a]-4:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:N-3:	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH)	C(N[5a]B[5a]C[5a])(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(NCC)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH){1|H<1>,1|N<2>,5|C<4>}	C(N[5a]B[5a]C[5a])(CH3)2(H)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(NCC){1|C<3>,1|C<4>,1|N<2>}	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	126.7790	6.862	5748	126.4932	6.407	9212
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|S<4>,2|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C){2|C<3>,3|H<1>}	120.4350	0.000	1	120.4350	0.000	1	120.4350	0.000	1	120.4350	0.000	1	120.3673	0.030	3	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|H<1>,2|C<3>}	120.3335	0.231	2	120.3335	0.053	2	120.3335	0.053	2	120.3335	0.053	2	120.3673	0.030	3	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|N<3>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){2|C<3>,2|H<1>}	121.2815	0.449	2	121.2815	0.202	2	121.2815	0.202	2	121.2815	0.202	2	121.1101	2.684	7	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	120.0367	0.717	3	120.0367	0.514	3	120.1898	0.436	4	120.1898	0.436	4	121.1101	2.684	7	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	120.6490	0.000	1	120.6490	0.000	1	120.1898	0.436	4	120.1898	0.436	4	121.1101	2.684	7	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,5a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	121.1101	2.684	7	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	128.3270	0.000	1	128.3270	0.000	1	128.3270	0.000	1	128.3270	0.000	1	122.7295	62.664	2	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(H)3	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	122.7295	62.664	2	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Pd<4>,1|C<3>,2|H<1>}	125.5800	0.000	1	125.5800	0.000	1	125.5800	0.000	1	125.5800	0.000	1	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]C[5a,6])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|S<2>,6|C<3>}	125.8270	0.000	1	125.8270	0.000	1	124.7522	5.045	5	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	126.6155	0.568	2	124.4835	6.245	4	124.7522	5.045	5	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	122.3515	0.480	2	124.4835	6.245	4	124.7522	5.045	5	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){6|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	126.3000	0.000	1	126.3000	0.000	1	126.3000	0.000	1	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){6|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	122.1020	0.000	1	122.1020	0.000	1	120.5491	6.475	8	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2678	1.171	4	119.2610	1.029	5	120.5491	6.475	8	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2340	0.000	1	119.2610	1.029	5	120.5491	6.475	8	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9470	0.000	1	119.9470	0.000	1	120.5491	6.475	8	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	126.0390	0.000	1	126.0390	0.000	1	120.5491	6.475	8	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	124.6185	0.303	2	122.7450	8.228	5	122.7450	8.228	5	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<4>,4|C<3>}	119.6285	0.441	2	122.7450	8.228	5	122.7450	8.228	5	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	125.2310	0.000	1	122.7450	8.228	5	122.7450	8.228	5	122.4416	9.069	20	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|S<4>,2|C<4>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S){1|C<4>,2|C<3>,2|H<1>}	128.1330	0.000	1	128.1330	0.000	1	128.1330	0.000	1	124.4057	8.549	6	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){2|N<3>,5|C<3>}	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	124.4057	8.549	6	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5050	0.000	1	119.5050	0.000	1	119.5050	0.000	1	124.4057	8.549	6	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	122.9880	0.000	1	122.9880	0.000	1	124.6957	2.245	3	124.4057	8.549	6	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	125.3080	0.000	1	125.3080	0.000	1	124.6957	2.245	3	124.4057	8.549	6	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C){2|H<1>,4|C<3>}	125.7910	0.000	1	125.7910	0.000	1	124.6957	2.245	3	124.4057	8.549	6	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	126.2360	0.064	2	126.2360	0.004	2	126.2360	0.004	2	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	126.4610	0.424	2	126.4610	0.180	2	126.9927	1.599	6	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	129.2990	0.000	1	129.2990	0.000	1	126.9927	1.599	6	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	125.9070	0.000	1	125.9070	0.000	1	126.9927	1.599	6	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|N<3>,4|C<3>}	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	126.9140	0.861	2	126.9140	0.742	2	126.9927	1.599	6	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	126.2420	0.000	1	126.2420	0.000	1	127.1527	0.622	3	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	127.6080	0.008	2	127.6080	0.000	2	127.1527	0.622	3	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){2|C<4>,5|C<3>}	126.4790	0.000	1	126.4790	0.000	1	126.4790	0.000	1	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	128.4417	1.498	3	128.4417	2.244	3	127.7790	3.253	4	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	125.7910	0.000	1	125.7910	0.000	1	127.7790	3.253	4	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3520	0.000	1	121.3520	0.000	1	119.6317	4.221	12	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.4020	0.000	1	121.4020	0.000	1	119.6317	4.221	12	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9857	0.701	3	118.9857	0.491	3	119.6317	4.221	12	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(N[5a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.6380	0.000	1	119.6380	0.000	1	119.6317	4.221	12	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	118.1175	0.873	2	118.1175	0.763	2	119.6317	4.221	12	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	117.1940	0.840	2	117.1940	0.706	2	119.6317	4.221	12	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,3|C<3>}	122.8040	0.204	2	122.8040	0.041	2	119.6317	4.221	12	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	126.9460	0.000	1	126.9460	0.000	1	126.9460	0.000	1	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<2>,5|C<3>}	125.2840	0.000	1	125.2840	0.000	1	124.3367	0.730	3	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.8630	0.338	2	123.8630	0.114	2	124.3367	0.730	3	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:Si[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	119.7630	0.000	1	119.7630	0.000	1	120.6933	0.657	3	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:Si[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.1585	0.125	2	121.1585	0.016	2	120.6933	0.657	3	123.7456	14.517	35	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	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>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C-4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.4195	0.404	2	125.4195	0.163	2	125.4195	0.163	2	125.4195	0.163	2	123.4853	11.718	65	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C(N[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]O[5a])(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	129.4440	0.000	1	129.4440	0.000	1	129.4440	0.000	1	129.4440	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C){1|O<1>,2|C<3>,2|H<1>}	119.8010	0.000	1	119.8010	0.000	1	119.8010	0.000	1	119.8010	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	126.4710	0.857	2	126.4710	0.734	2	126.4710	0.734	2	126.4710	0.734	2	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	C(N[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]O[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	125.9050	0.000	1	125.9050	0.000	1	125.9050	0.000	1	125.9050	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3){1|H<1>,1|O<1>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]H)(N[5a]N[5a]C)(O){1|H<1>,1|O<1>}	127.0310	0.000	1	127.0310	0.000	1	127.0310	0.000	1	124.2765	15.175	2	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|O<1>}	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	124.2765	15.175	2	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.8420	0.298	2	119.3220	4.050	4	119.6710	3.646	5	119.6710	3.646	5	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,5|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	117.8020	1.679	2	119.3220	4.050	4	119.6710	3.646	5	119.6710	3.646	5	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	C(N[5a]C[5a,6a]C[5a])(H)3	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.0670	0.000	1	121.0670	0.000	1	119.6710	3.646	5	119.6710	3.646	5	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	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>}	127.4120	0.000	1	127.4120	0.000	1	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	121.1623	0.416	3	121.7818	1.650	4	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	123.6400	0.000	1	121.7818	1.650	4	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	124.0840	3.337	3	124.0840	11.139	3	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	123.7256	2.085	53	123.1080	6.597	78	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	121.8289	2.823	23	123.1080	6.597	78	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	121.4500	6.576	2	123.1080	6.597	78	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	125.5200	0.000	1	125.5200	0.000	1	123.1579	6.619	87	123.1579	6.619	87	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	122.5270	0.000	1	122.5270	0.000	1	122.5270	0.000	1	122.5270	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|N<3>,1|S<4>}	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	124.7130	0.000	1	124.7130	0.000	1	124.7130	0.000	1	124.7130	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-3:C-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC)	C(N[5a]C[5a]N[5a])2(CCO)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])2(CCO)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	117.7540	5.837	4	117.7540	34.073	4	117.7540	34.073	4	117.7540	34.073	4	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](N[5a]C[5a,6a]C)2(O){2|C<3>}	120.0130	0.338	2	120.0130	0.114	2	120.0130	0.114	2	120.0130	0.114	2	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	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>}	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	123.5990	0.000	1	123.5990	0.000	1	123.5990	0.000	1	123.5990	0.000	1	122.8072	9.303	112	122.9380	10.245	189
813	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,5a]-3:C[5a]-3:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	C(N[5a]C[5a,5a]C[5a])(CH3)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	122.8072	9.303	112	122.9380	10.245	189