727	514	643	0:SP2_SP2_SP3	C[5,6a]	As[5]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	128.9450	1.116	2	128.9450	1.245	2	128.9450	1.245	2	128.9450	1.245	2	122.5124	11.373	12	122.5124	11.373	12
727	514	643	0:SP2_SP2_SP3	C[5,6a]	As[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(B[5]As[5]Cl2)(CH3)2	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	As[5](C[5,6a]C[5,6a]C[6a])(B[5]As[5]Cl2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|B<4>,1|C<3>,1|H<1>,2|C<4>}	122.2425	0.210	2	122.2425	0.044	2	122.2425	0.044	2	121.2022	4.756	6	122.5124	11.373	12	122.5124	11.373	12
727	514	643	0:SP2_SP2_SP3	C[5,6a]	As[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	As[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|C<3>,1|H<1>,3|C<4>}	122.7540	0.880	2	122.7540	0.774	2	122.7540	0.774	2	121.2022	4.756	6	122.5124	11.373	12	122.5124	11.373	12
727	514	643	0:SP2_SP2_SP3	C[5,6a]	As[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(Ga[5]As[5]II)(CH3)2	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	As[5](C[5,6a]C[5,6a]C[6a])(Ga[5]As[5]II)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	121.2022	4.756	6	122.5124	11.373	12	122.5124	11.373	12
727	514	643	0:SP2_SP2_SP3	C[5,6a]	As[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:In[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(In[5]As[5]II)(CH3)2	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	As[5](C[5,6a]C[5,6a]C[6a])(In[5]As[5]II)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|In<4>,1|C<3>,1|H<1>,2|C<4>}	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	121.2022	4.756	6	122.5124	11.373	12	122.5124	11.373	12
727	514	643	0:SP2_SP2_SP3	C[5,6a]	As[5]	C[6a]	3:4:3:	3:8:4:4:	3:3:1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:Nb[5,5]-8:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(Nb[5,5]As[5]3Cl4)(CH3)2	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H){2|As<4>,4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	As[5](C[5,6a]C[5,6a]C[6a])(Nb[5,5]As[5]3Cl4)(CH3)2{1|H<1>,4|C<3>,6|C<4>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|Nb<8>,1|C<3>,1|H<1>,2|C<4>}	121.2615	0.506	4	121.2615	0.256	4	121.2615	0.256	4	121.2615	0.256	4	122.5124	11.373	12	122.5124	11.373	12
727	514	727	5:SP2_SP2_SP3	C[5,6a]	As[5]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O){2|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	112.0535	0.433	2	112.0535	0.188	2	112.0535	0.188	2	112.0535	0.188	2	117.6570	10.560	12	117.6570	10.560	12
727	514	727	5:SP2_SP2_SP3	C[5,6a]	As[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(B[5]As[5]Cl2)(CH3)2	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	As[5](C[5,6a]C[5,6a]C[6a])(B[5]As[5]Cl2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	117.5095	1.132	2	117.5095	1.282	2	117.5095	1.282	2	118.8168	8.074	6	117.6570	10.560	12	117.6570	10.560	12
727	514	727	5:SP2_SP2_SP3	C[5,6a]	As[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]HH)(CH3)2	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	As[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	116.6140	0.393	2	116.6140	0.155	2	116.6140	0.155	2	118.8168	8.074	6	117.6570	10.560	12	117.6570	10.560	12
727	514	727	5:SP2_SP2_SP3	C[5,6a]	As[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(Ga[5]As[5]II)(CH3)2	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	As[5](C[5,6a]C[5,6a]C[6a])(Ga[5]As[5]II)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	121.5620	0.000	1	121.5620	0.000	1	121.5620	0.000	1	118.8168	8.074	6	117.6570	10.560	12	117.6570	10.560	12
727	514	727	5:SP2_SP2_SP3	C[5,6a]	As[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:In[5]-4:C-4:C-4:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(In[5]As[5]II)(CH3)2	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	As[5](C[5,6a]C[5,6a]C[6a])(In[5]As[5]II)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	123.0920	0.000	1	123.0920	0.000	1	123.0920	0.000	1	118.8168	8.074	6	117.6570	10.560	12	117.6570	10.560	12
727	514	727	5:SP2_SP2_SP3	C[5,6a]	As[5]	C[5,6a]	3:4:3:	3:8:4:4:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:Nb[5,5]-8:C-4:C-4:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(Nb[5,5]As[5]3Cl4)(CH3)2	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H){2|As<4>,4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	As[5](C[5,6a]C[5,6a]C[6a])(Nb[5,5]As[5]3Cl4)(CH3)2{1|H<1>,4|C<3>,6|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H){2|As<4>,4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	118.7190	0.273	4	118.7190	0.075	4	118.7190	0.075	4	118.7190	0.075	4	117.6570	10.560	12	117.6570	10.560	12
727	518	643	0:SP2_SP2_SP3	C[5,6a]	S[4,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	S[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H)	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5]){1|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	123.0980	0.093	2	123.0980	0.009	2	123.0980	0.009	2	123.0980	0.009	2	123.0980	0.009	2	123.0980	0.009	2
727	518	727	5:SP2_SP2_SP3	C[5,6a]	S[4,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:4:	S[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5]){1|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.3625	0.043	2	115.3625	0.002	2	115.3625	0.002	2	115.3625	0.002	2	115.3625	0.002	2	115.3625	0.002	2
727	519	519	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:	C[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]S[5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a])	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]S[5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a]){1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a]){1|N<2>,1|S<2>}	130.5550	0.132	2	130.5550	0.017	2	130.5550	0.017	2	130.5550	0.017	2	134.8170	24.241	4	134.8170	24.241	4
727	519	519	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:O[5a]-2:	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]N[5a])(N[5a]O[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(O[5a]N[5a])	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]N[5a])(N[5a]O[5a]){1|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a]){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(O[5a]N[5a]){1|N<2>,1|N<3>}	139.0790	0.215	2	139.0790	0.046	2	139.0790	0.046	2	139.0790	0.046	2	134.8170	24.241	4	134.8170	24.241	4
727	519	519	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:	C[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]S[5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a])	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]S[5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a]){1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]N[5a]){1|N<2>,1|S<2>}	130.4930	0.000	1	130.4930	0.000	1	130.4930	0.000	1	130.4930	0.000	1	130.4930	0.000	1	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(H){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	113.1657	0.218	6	113.1657	0.048	6	113.2149	0.057	11	113.1357	0.127	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	C[5a](N[5a]N[5a])2(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	113.2740	0.275	5	113.2740	0.075	5	113.2149	0.057	11	113.1357	0.127	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(N)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(N){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	113.1357	0.127	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(H)	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(H){1|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	112.9530	0.007	2	112.9530	0.000	2	112.9530	0.000	2	112.9530	0.000	2	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Br)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Br){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br){3|C<3>}	119.0288	0.785	4	119.0288	0.617	4	119.0288	0.617	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){3|C<3>}	118.5760	0.243	4	118.5760	0.059	4	118.5760	0.059	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]Cl)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl){1|Cl<1>,1|H<1>}	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H){1|Cl<1>}	N[5a](C[5a]N[5a]Cl)2{1|H<1>}	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])2(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|O<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>}	115.8519	1.037	8	115.8519	1.075	8	115.8519	1.075	8	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<2>,1|N<2>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|N<2>}	121.9540	0.000	1	117.9875	7.069	4	117.9875	7.069	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,2|N<3>}	117.0420	0.000	1	117.9875	7.069	4	117.9875	7.069	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	116.4770	0.126	2	117.9875	7.069	4	117.9875	7.069	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,1|N<3>,1|S<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	116.7280	0.000	1	116.7482	4.455	5	116.8833	3.111	7	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	117.8783	1.146	3	116.7482	4.455	5	116.8833	3.111	7	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	113.3780	0.000	1	116.7482	4.455	5	116.8833	3.111	7	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){3|N<3>}	117.2210	0.727	2	117.2210	0.528	2	116.8833	3.111	7	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	115.2270	0.000	1	115.2270	0.000	1	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	115.6105	0.066	2	115.6105	0.004	2	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]Br)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|Br<1>,1|C<4>}	N[5a](C[5a]N[5a]Br)(C[5a]N[5a]H){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|Br<1>}	116.7520	0.000	1	116.7520	0.000	1	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|C<3>}	115.3460	0.000	1	115.3460	0.000	1	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>}	114.9565	0.658	2	114.7980	2.619	4	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<3>}	114.6395	2.706	2	114.7980	2.619	4	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>,1|S<4>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|S<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|N<3>}	117.1430	0.000	1	117.1430	0.000	1	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|P<4>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	115.8169	0.464	7	115.8169	0.215	7	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|S<2>}	115.9980	0.000	1	115.9980	0.000	1	115.6443	0.947	18	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	115.6870	0.000	1	116.1147	0.235	10	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	116.1622	0.489	9	116.1147	0.235	10	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|B<4>}	115.4672	0.328	6	115.4672	0.107	6	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	115.9493	0.318	23	115.4359	0.851	166	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	115.3533	0.961	143	115.4359	0.851	166	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|H<1>}	112.3247	3.871	3	112.3247	14.987	3	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|N<2>}	116.4850	0.000	1	116.4850	0.000	1	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|S<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|S<4>}	116.2930	0.000	1	116.2930	0.000	1	115.4335	1.121	187	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(H)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]N[5a]H)	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(H){1|C<3>,1|S<2>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H){1|C<4>,1|O<1>,1|S<2>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]N[5a]H){1|C<3>,1|C<4>}	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	117.6450	0.000	1	117.1252	0.305	4	117.1252	0.305	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	116.4610	0.000	1	117.1252	0.305	4	117.1252	0.305	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|S<2>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	117.1975	0.441	2	117.1252	0.305	4	117.1252	0.305	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<3>,1|N<2>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|N<2>}	116.2550	0.000	1	116.2550	0.000	1	116.5155	0.191	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>}	116.9440	0.000	1	116.6023	0.242	3	116.5155	0.191	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>}	116.0390	0.000	1	116.6023	0.242	3	116.5155	0.191	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<4>}	116.8240	0.000	1	116.6023	0.242	3	116.5155	0.191	4	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	117.1865	0.327	2	117.1865	0.107	2	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H){3|C<3>}	117.3075	0.364	2	117.3075	0.133	2	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	117.3802	0.408	19	117.4410	0.286	30	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	117.4857	0.497	3	117.4410	0.286	30	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	117.3665	0.088	2	117.4410	0.286	30	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	116.1020	0.000	1	117.4410	0.286	30	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	118.0535	0.686	4	117.4410	0.286	30	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	117.4990	0.000	1	117.4410	0.286	30	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]H){2|C<3>}	116.6810	0.000	1	116.6810	0.000	1	117.3971	0.271	35	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	115.8115	0.040	2	115.8115	0.002	2	115.8994	0.326	62	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	115.3610	0.000	1	115.3610	0.000	1	115.8994	0.326	62	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	114.8735	0.064	2	114.8735	0.004	2	115.8994	0.326	62	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	115.6153	0.273	6	115.9479	0.310	57	115.8994	0.326	62	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	116.0630	0.000	1	115.9479	0.310	57	115.8994	0.326	62	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	115.9855	0.575	50	115.9479	0.310	57	115.8994	0.326	62	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(I)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(I){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I){3|C<3>}	118.5370	0.000	1	118.5370	0.000	1	118.5370	0.000	1	115.9281	1.584	341	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NN){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	112.3180	0.458	7	112.3180	0.210	7	112.3180	0.210	7	114.2992	7.227	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(NN)	N[5a](C[5a]N[5a]N)(O[5a]C[5a])	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(NN){1|N<3>}	N[5a](C[5a]N[5a]N)(O[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	117.4280	0.197	2	117.4280	0.039	2	117.4280	0.039	2	114.2992	7.227	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(OC[6a])	N[5a](C[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(OC[6a]){1|C<4>}	N[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	114.2992	7.227	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:N[5a]-2:O-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(OC)	N[5a](C[5a]N[5a]O)(O[5a]C[5a])	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(OC){1|N<2>}	N[5a](C[5a]N[5a]O)(O[5a]C[5a]){1|N<2>}	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	114.2992	7.227	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(SC)	N[5a](C[5a]N[5a]S)(S[5a]C[5a])	N[5a](C[5a]N[5a]S)(C[5a]S[5a]S)	C[5a](N[5a]C[5a])(N[5a]S[5a])(SC){1|S<2>}	N[5a](C[5a]N[5a]S)(S[5a]C[5a]){1|S<2>}	N[5a](C[5a]N[5a]S)(C[5a]S[5a]S)	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	114.2992	7.227	12	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN)	N[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN){1|C<3>}	N[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	N[5a](C[5a]N[5a]C)2{1|C<4>}	114.7170	0.047	2	114.7170	0.002	2	114.7170	0.002	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	112.6270	2.568	2	112.6270	6.596	2	113.5447	5.824	3	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	115.3800	0.000	1	115.3800	0.000	1	113.5447	5.824	3	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](N[5a]C[5a]Mn)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|Mn<6>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|Mn<6>}	N[5a](N[5a]C[5a]Mn)(C[5a]N[5a]N){1|H<1>}	112.1990	0.000	1	112.7310	0.566	2	112.7310	0.566	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](N[5a]C[5a]Mn)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|Mn<7>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|Mn<7>}	N[5a](N[5a]C[5a]Mn)(C[5a]N[5a]N){1|H<1>}	113.2630	0.000	1	112.7310	0.566	2	112.7310	0.566	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	114.9350	0.000	1	114.9350	0.000	1	116.8083	8.519	4	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	114.6430	0.000	1	114.6430	0.000	1	116.8083	8.519	4	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	120.9730	0.000	1	120.9730	0.000	1	116.8083	8.519	4	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	116.6820	0.000	1	116.6820	0.000	1	116.8083	8.519	4	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	115.3320	0.000	1	115.3320	0.000	1	116.6305	3.372	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	117.9290	0.000	1	117.9290	0.000	1	116.6305	3.372	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>}	116.2470	0.219	2	116.2470	0.048	2	116.2470	0.048	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:O-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC)	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O){3|C<3>}	117.2140	0.000	1	117.2140	0.000	1	118.4455	1.019	4	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:O-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	118.0500	0.000	1	118.0500	0.000	1	118.4455	1.019	4	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:O-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){2|C<3>}	119.2590	0.243	2	119.2590	0.059	2	118.4455	1.019	4	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<4>,1|N<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,1|N<3>,2|C<3>}	115.6937	0.233	3	115.6937	0.054	3	115.6937	0.054	3	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>}	115.6797	0.247	3	115.6797	0.061	3	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<4>}	115.0550	0.000	1	115.0550	0.000	1	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	115.4380	0.280	2	115.4380	0.078	2	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|H<1>}	115.1670	0.868	3	115.1670	0.754	3	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|N<3>}	116.7490	0.000	1	116.7490	0.000	1	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|N<3>}	114.9070	0.023	2	114.9070	0.001	2	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<3>}	115.2190	0.000	1	115.2190	0.000	1	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<3>}	114.7300	0.000	1	114.7300	0.000	1	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|H<1>}	114.3150	0.000	1	114.3150	0.000	1	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|N<3>}	116.3340	0.396	2	116.3340	0.157	2	115.4098	0.506	17	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<3>,1|N<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|H<1>,2|C<3>}	115.8670	0.000	1	115.8670	0.000	1	116.0180	0.046	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<4>,1|N<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|N<3>,1|O<2>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|H<1>,2|C<4>}	116.1690	0.000	1	116.1690	0.000	1	116.0180	0.046	2	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	115.9520	0.000	1	115.9520	0.000	1	116.9841	0.265	7	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	117.1507	0.370	3	117.1562	0.070	6	116.9841	0.265	7	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	117.1205	0.254	2	117.1562	0.070	6	116.9841	0.265	7	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	117.2440	0.000	1	117.1562	0.070	6	116.9841	0.265	7	115.8856	2.847	49	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Mn)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CCH){1|Mn<6>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Mn<6>}	N[5a](N[5a]N[5a]Mn)(C[5a]N[5a]C)	110.7260	0.000	1	110.7260	0.000	1	111.7810	0.860	3	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Mo)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CCH){1|Mo<8>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Mo<8>}	N[5a](N[5a]N[5a]Mo)(C[5a]N[5a]C)	112.3085	0.226	2	112.3085	0.051	2	111.7810	0.860	3	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	114.3030	0.000	1	114.3030	0.000	1	114.1437	0.019	3	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]H)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN){1|H<1>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]H)	114.0640	0.028	2	114.0640	0.001	2	114.1437	0.019	3	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C){2|C<3>}	112.8750	0.000	1	112.8750	0.000	1	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Cd)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Cd<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Cd<6>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Cd){2|C<3>}	112.4380	0.000	1	112.4380	0.000	1	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Co)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Co<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Co<6>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Co){2|C<3>}	112.1410	0.000	1	112.1410	0.000	1	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	112.5840	0.000	1	112.3883	0.056	3	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	112.2905	0.233	2	112.3883	0.056	3	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Mn)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Mn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Mn<6>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Mn){2|C<3>}	112.2810	0.000	1	112.2810	0.000	1	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Ni)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Ni<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Ni<6>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Ni){2|C<3>}	112.1080	0.000	1	112.1080	0.000	1	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Zn)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Zn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Zn<6>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Zn){2|C<3>}	112.5900	0.000	1	112.5900	0.000	1	112.3998	0.068	9	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NC[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NC[5a]C){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	113.1450	0.000	1	113.1450	0.000	1	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NC[5a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NC[5a]H){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	113.3730	0.402	2	113.3730	0.161	2	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHH){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	111.9592	0.340	4	111.9592	0.116	4	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHN){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	113.8790	0.000	1	113.8790	0.000	1	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(NHN){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	113.5290	0.000	1	113.5290	0.000	1	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NNO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NNO){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	113.9990	0.000	1	113.9990	0.000	1	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NOO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	115.7270	0.295	3	115.4617	0.090	20	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NOO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	115.4149	0.284	17	115.4617	0.090	20	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NOO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(NOO){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	115.1920	1.014	2	115.1920	1.028	2	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NOO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	C[5a](N[5a]N[5a])2(NOO){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	116.2320	0.000	1	116.2320	0.000	1	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NOO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	C[5a](N[5a]N[5a])2(NOO){1|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	116.0241	0.374	7	115.9062	0.231	8	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(NOO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	C[5a](N[5a]N[5a])2(NOO){1|O<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|O<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	115.0810	0.000	1	115.9062	0.231	8	114.9326	1.681	41	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(NOO)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]N[5a]Co)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])2(NOO){1|Co<6>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|Co<6>}	N[5a](N[5a]N[5a]Co)(C[5a]N[5a]N)	115.1395	0.423	4	115.1395	0.179	4	115.1395	0.179	4	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(NCH)	N[5a](C[5a]N[5a]N)(O[5a]C[5a])	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(NCH){1|N<3>}	N[5a](C[5a]N[5a]N)(O[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(S[5a]C[5a])	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(NC[6a]H){1|N<3>}	N[5a](C[5a]N[5a]N)(S[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	120.6555	0.104	2	120.6555	0.011	2	120.5580	0.034	3	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(NHH)	N[5a](C[5a]N[5a]N)(S[5a]C[5a])	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)(S[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	120.3630	0.000	1	120.3630	0.000	1	120.5580	0.034	3	114.6995	4.050	64	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]O)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]O){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	114.7540	2.616	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(COO)	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(COO){1|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	112.3040	0.000	1	112.3040	0.000	1	112.3040	0.000	1	114.7540	2.616	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[6])(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6]){1|C<4>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(O[5a]C[5a]){1|C<4>,2|C<3>}	114.6010	0.000	1	114.6010	0.000	1	114.6010	0.000	1	114.7540	2.616	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6]){4|C<3>}	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a]){3|C<3>}	116.6580	0.000	1	116.6580	0.000	1	115.1255	4.697	2	114.7540	2.616	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6])	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6]){4|C<3>}	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a]){3|C<3>}	113.5930	0.000	1	113.5930	0.000	1	115.1255	4.697	2	114.7540	2.616	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:N[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2)	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C)	N[5a](C[5a]N[5a]N[6])(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2){3|C<4>,4|H<1>}	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C){2|C<4>}	N[5a](C[5a]N[5a]N[6])(O[5a]C[5a]){3|C<4>}	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	114.7540	2.616	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCH)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.3740	0.000	1	116.3740	0.000	1	117.4400	0.872	4	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(COO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(COO){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	117.7953	0.742	3	117.7953	0.550	3	117.4400	0.872	4	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|H<1>}	113.8815	0.039	2	113.8815	0.002	2	114.8106	0.527	12	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){2|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>}	114.9363	0.632	8	114.9363	0.400	8	114.8106	0.527	12	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	115.8630	0.000	1	115.8630	0.000	1	114.8106	0.527	12	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO){2|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>}	114.6110	0.000	1	114.6110	0.000	1	114.8106	0.527	12	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	114.1700	0.000	1	114.1700	0.000	1	114.5300	0.259	2	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNN){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	114.8900	0.000	1	114.8900	0.000	1	114.5300	0.259	2	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN)	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN){1|Pt<4>,1|C<3>}	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C){1|C<3>}	N[5a](C[5a]N[5a]C)2{1|Pt<4>}	114.5197	0.554	3	114.5197	0.307	3	115.0339	0.288	10	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	114.8787	0.065	3	114.8787	0.004	3	115.0339	0.288	10	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	115.4900	0.187	3	115.4900	0.035	3	115.0339	0.288	10	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){3|C<3>}	115.6740	0.000	1	115.6740	0.000	1	115.0339	0.288	10	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]Fe)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){2|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Fe<6>,1|C<3>,3|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]Fe){1|C<3>,2|N<3>}	114.3890	0.000	1	114.3890	0.000	1	115.3021	3.346	9	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]Zn)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Zn<4>,1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Zn<5>,1|C<3>,3|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]Zn){1|C<3>,2|N<3>}	114.4120	0.000	1	114.4900	0.012	2	115.3021	3.346	9	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]Zn)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Zn<4>,1|Zn<5>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Zn<5>,1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]Zn){1|C<3>,1|N<2>,1|N<3>}	114.5680	0.000	1	114.4900	0.012	2	115.3021	3.346	9	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,2|N<2>}	118.2365	0.220	2	115.8312	7.757	4	115.3021	3.346	9	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	113.4260	0.287	2	115.8312	7.757	4	115.3021	3.346	9	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|H<1>,2|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){3|N<3>}	115.5125	0.350	2	115.5125	0.123	2	115.3021	3.346	9	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	113.9620	0.000	1	113.9620	0.000	1	114.7656	0.513	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	114.8595	0.551	2	114.7077	0.221	3	114.7656	0.513	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	114.4040	0.000	1	114.7077	0.221	3	114.7656	0.513	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	115.7430	0.000	1	115.7430	0.000	1	114.7656	0.513	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C[6])2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,4|C<3>}	114.8865	0.056	2	114.8865	0.003	2	114.8865	0.003	2	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	115.8970	0.301	2	115.8970	0.091	2	115.8970	0.091	2	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	117.3822	0.253	4	117.3822	0.064	4	117.3822	0.064	4	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	116.6310	0.000	1	116.1660	0.116	4	116.1660	0.116	4	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	115.9900	0.242	2	116.1660	0.116	4	116.1660	0.116	4	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	116.0530	0.000	1	116.1660	0.116	4	116.1660	0.116	4	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a]){1|O<2>,1|S<2>,4|C<3>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	115.6535	0.008	2	115.6535	0.000	2	115.6535	0.000	2	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	116.1590	0.000	1	116.1845	0.001	2	115.7726	0.147	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	116.2100	0.000	1	116.1845	0.001	2	115.7726	0.147	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|O<2>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a]){4|C<3>}	115.6020	0.000	1	115.6020	0.000	1	115.7726	0.147	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	115.3920	0.000	1	115.4460	0.006	2	115.7726	0.147	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	115.5000	0.000	1	115.4460	0.006	2	115.7726	0.147	5	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	116.6250	0.000	1	115.9518	0.272	4	115.7988	0.237	6	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	115.7273	0.325	3	115.9518	0.272	4	115.7988	0.237	6	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	115.4930	0.297	2	115.4930	0.088	2	115.7988	0.237	6	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	115.8110	0.000	1	115.6075	0.083	2	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	115.4040	0.000	1	115.6075	0.083	2	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	115.6230	0.000	1	116.0487	0.225	8	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	116.4740	0.000	1	116.0487	0.225	8	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	116.0117	0.283	3	116.0487	0.225	8	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	115.7790	0.694	2	116.0487	0.225	8	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	116.7000	0.000	1	116.0487	0.225	8	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a]){4|C<3>}	115.1830	0.000	1	115.1830	0.000	1	115.8898	0.252	11	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(NHH)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(NHH){1|C<3>,1|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){1|N<2>,2|N<3>}	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|C<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	116.3710	0.300	2	116.3710	0.090	2	117.5153	3.973	3	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|O<1>,2|N<2>}	119.8040	0.000	1	119.8040	0.000	1	117.5153	3.973	3	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NFeN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NFeN){2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	115.2040	0.000	1	115.2040	0.000	1	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	114.6090	0.000	1	114.6090	0.000	1	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	114.3400	0.000	1	114.3400	0.000	1	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	114.1060	0.000	1	114.1060	0.000	1	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	117.9084	0.183	5	117.9084	0.033	5	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	117.3545	1.042	4	117.5551	0.500	10	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	117.4320	0.000	1	117.5551	0.500	10	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	118.0750	0.149	3	117.5551	0.500	10	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	117.2380	0.088	2	117.5551	0.500	10	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O){1|C<3>}	118.0812	0.333	5	118.0812	0.111	5	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	118.1890	0.130	2	118.1890	0.017	2	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>}	117.5245	0.252	2	117.5245	0.064	2	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	117.3410	0.000	1	117.3410	0.000	1	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	118.3557	0.132	3	118.2034	0.071	5	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	117.9750	0.274	2	118.2034	0.071	5	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	117.0951	1.270	7	117.0951	1.613	7	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|H<1>}	118.0035	0.042	2	118.0035	0.002	2	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|O<2>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|O<2>}	118.2370	0.000	1	118.2370	0.000	1	117.4421	1.356	44	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](N[5a]C[5a]Ni)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|Ni<6>,1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|Ni<6>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]Ni)(C[5a]N[5a]N){1|C<3>}	117.2450	0.074	2	117.2450	0.005	2	117.2450	0.005	2	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NCH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	115.9590	0.000	1	115.9590	0.000	1	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	116.0280	0.000	1	116.0280	0.000	1	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	113.5825	2.471	2	113.5825	6.108	2	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){3|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	118.3370	0.000	1	118.8460	0.518	2	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	119.3550	0.000	1	118.8460	0.518	2	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|B<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|B<4>}	117.8175	0.184	6	117.8175	0.034	6	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	119.4268	0.586	6	118.8966	0.672	12	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	118.3663	0.679	6	118.8966	0.672	12	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	118.1730	0.161	3	118.1730	0.026	3	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|N<3>}	117.9015	0.411	8	117.9015	0.169	8	117.9497	2.172	35	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	116.5430	0.000	1	116.5430	0.000	1	116.9988	2.604	8	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	116.1795	0.269	2	115.7537	0.280	4	116.9988	2.604	8	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	115.3280	0.206	2	115.7537	0.280	4	116.9988	2.604	8	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHS)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHS){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|O<2>,2|C<3>}	118.3795	0.131	2	118.3795	0.017	2	116.9988	2.604	8	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	119.6730	0.000	1	119.6730	0.000	1	116.9988	2.604	8	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	119.1360	0.095	2	119.0234	0.098	8	119.0234	0.098	8	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	118.9858	0.359	6	119.0234	0.098	8	119.0234	0.098	8	116.7723	2.679	179	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC[6a]HH){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	112.0580	0.000	1	112.0580	0.000	1	112.9554	0.757	13	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CF3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]W)	C[5a](N[5a]N[5a])2(CF3){1|W<6>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|W<6>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]W)	112.7020	0.205	2	112.7020	0.042	2	112.9554	0.757	13	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CFNN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CFNN){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	113.4720	0.024	3	113.4720	0.001	3	112.9554	0.757	13	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CN3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	C[5a](N[5a]N[5a])2(CN3){1|B<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|B<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	113.8245	0.071	2	113.8245	0.005	2	112.9554	0.757	13	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CN3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN3){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	113.2810	0.000	1	113.2810	0.000	1	112.9554	0.757	13	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CN[6]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN[6]HH){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	112.4030	1.220	4	112.4030	1.489	4	112.9554	0.757	13	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CC3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Mo)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC3){1|Mo<8>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Mo<8>}	N[5a](N[5a]N[5a]Mo)(C[5a]N[5a]C)	111.5340	0.000	1	111.5340	0.000	1	112.2873	0.522	7	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CC3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Sn)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC3){1|Sn<5>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Sn<5>}	N[5a](N[5a]N[5a]Sn)(C[5a]N[5a]C)	111.7550	0.000	1	111.7550	0.000	1	112.2873	0.522	7	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CCHH){1|Pt<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Pt<4>}	N[5a](N[5a]N[5a]Pt)(C[5a]N[5a]C)	112.5230	0.000	1	112.5230	0.000	1	112.2873	0.522	7	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Ru)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC[6a]HH){1|Ru<8>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Ru<8>}	N[5a](N[5a]N[5a]Ru)(C[5a]N[5a]C)	112.0730	0.000	1	112.0730	0.000	1	112.2873	0.522	7	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CF3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Cr)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CF3){1|Cr<8>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Cr<8>}	N[5a](N[5a]N[5a]Cr)(C[5a]N[5a]C)	113.7500	0.000	1	113.7500	0.000	1	112.2873	0.522	7	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CH3){1|Ir<8>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Ir<8>}	N[5a](N[5a]N[5a]Ir)(C[5a]N[5a]C)	112.2910	0.000	1	112.2910	0.000	1	112.2873	0.522	7	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]N[5a]Ni)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CH3){1|Ni<6>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Ni<6>}	N[5a](N[5a]N[5a]Ni)(C[5a]N[5a]C)	112.0850	0.000	1	112.0850	0.000	1	112.2873	0.522	7	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|C<3>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	114.4235	0.016	2	114.4235	0.000	2	115.1206	0.382	9	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|N<2>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|N<2>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	115.3510	0.000	1	115.3510	0.000	1	115.1206	0.382	9	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	114.8430	0.023	2	114.8430	0.001	2	115.1206	0.382	9	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	115.2820	0.008	2	115.2820	0.000	2	115.1206	0.382	9	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	116.4690	0.000	1	116.4690	0.000	1	115.1206	0.382	9	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	115.1680	0.000	1	115.1680	0.000	1	115.1206	0.382	9	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH)	N[5a](C[5a]N[5a]C)(S[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH){1|N<3>}	N[5a](C[5a]N[5a]C)(S[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	119.6580	0.376	6	119.6580	0.141	6	119.2969	0.550	8	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3)	N[5a](C[5a]N[5a]C)(S[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3){1|N<2>}	N[5a](C[5a]N[5a]C)(S[5a]C[5a]){1|N<2>}	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	118.2135	0.118	2	118.2135	0.014	2	119.2969	0.550	8	114.7268	7.501	37	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	112.8457	2.948	3	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CH3)	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CH3){1|Si<6>}	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Si<6>}	111.8560	0.141	2	111.8560	0.020	2	111.8560	0.020	2	112.8457	2.948	3	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|B<4>,1|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C){1|B<4>,1|C<3>,1|N<3>}	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C){1|N<3>,3|C<3>}	115.0600	0.000	1	115.0600	0.000	1	116.6310	0.898	5	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	117.0238	0.412	4	117.0238	0.169	4	116.6310	0.898	5	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	116.3800	0.000	1	116.3800	0.000	1	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	114.4050	0.000	1	114.4050	0.000	1	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	114.2840	0.799	8	114.3268	0.576	9	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	114.6690	0.000	1	114.3268	0.576	9	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	115.3015	0.112	2	115.3015	0.013	2	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>}	118.0550	0.000	1	118.0550	0.000	1	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	116.5905	0.161	2	116.5905	0.026	2	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	114.8200	0.000	1	114.8200	0.000	1	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	115.9090	0.000	1	115.9090	0.000	1	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	115.7290	0.000	1	115.7290	0.000	1	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	115.1177	0.088	3	115.1177	0.008	3	115.1535	1.261	22	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Ir<6>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	114.6587	0.184	3	114.6587	0.034	3	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Pt<4>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<4>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C){1|C<3>}	114.6330	0.000	1	114.6330	0.000	1	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|Pd<4>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pd<4>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C){1|C<3>}	115.3120	0.000	1	115.3120	0.000	1	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|Ir<6>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	116.5010	0.000	1	116.5010	0.000	1	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|Pd<4>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pd<4>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C){1|C<3>}	114.2630	0.000	1	114.2630	0.000	1	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Cu<4>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C){1|C<3>}	116.2875	0.460	4	116.2875	0.211	4	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	116.9150	0.000	1	116.9150	0.000	1	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Os)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Os<6>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Os)(C[5a]N[5a]C){1|C<3>}	116.4243	0.275	4	116.4243	0.076	4	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<3>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<3>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C){1|C<3>}	116.4345	0.141	2	116.5053	0.043	6	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<4>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C){1|C<3>}	116.5408	0.244	4	116.5053	0.043	6	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	114.6220	0.279	2	114.6220	0.078	2	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Ir<6>,1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	115.9080	0.000	1	115.9080	0.000	1	115.8652	0.792	25	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	113.7960	0.000	1	113.7960	0.000	1	114.8472	1.301	6	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B){1|C<4>}	N[5a](C[5a]N[5a]C)2{1|B<4>}	114.7627	0.125	3	114.7627	0.016	3	114.8472	1.301	6	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>}	N[5a](C[5a]N[5a]C)2{1|C<3>}	114.0000	0.000	1	114.0000	0.000	1	114.8472	1.301	6	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	116.9990	0.000	1	116.9990	0.000	1	114.8472	1.301	6	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH){1|C<3>,1|S<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C){2|C<3>}	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3){1|C<4>,1|N<3>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C){1|N<3>,1|O<2>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C){1|H<1>,2|C<4>}	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.3300	0.000	1	116.4685	0.038	2	116.2798	0.848	9	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.6070	0.000	1	116.4685	0.038	2	116.2798	0.848	9	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	117.6105	0.081	2	117.6105	0.007	2	116.2798	0.848	9	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>}	115.3760	0.386	2	115.3760	0.149	2	116.2798	0.848	9	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	115.4110	0.000	1	115.4110	0.000	1	116.2798	0.848	9	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C){2|C<3>}	115.5890	0.000	1	115.5890	0.000	1	116.2798	0.848	9	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C){3|C<3>}	116.6080	0.000	1	116.6080	0.000	1	116.2798	0.848	9	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	114.2570	0.000	1	114.2570	0.000	1	114.7392	0.304	4	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	114.5845	0.062	2	114.5845	0.004	2	114.7392	0.304	4	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Nb<8>,1|C<4>}	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C){1|C<4>,7|N<3>}	N[5a](C[5a]N[5a]C)2{1|Nb<8>}	115.5310	0.000	1	115.5310	0.000	1	114.7392	0.304	4	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO)	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	117.6130	0.000	1	117.7445	0.035	2	117.7880	0.023	3	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO)	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO){1|C<3>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	117.8760	0.000	1	117.7445	0.035	2	117.7880	0.023	3	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:S-4:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SNOO)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SNOO){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	117.8750	0.000	1	117.8750	0.000	1	117.7880	0.023	3	115.6924	1.310	77	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H)	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2{1|H<1>,3|N<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<3>}	115.5360	0.000	1	115.5360	0.000	1	115.5360	0.000	1	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])2	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){2|C<3>}	112.3080	0.472	3	112.3080	0.223	3	112.3510	0.221	6	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|I<1>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>}	111.9500	0.000	1	111.9500	0.000	1	112.3510	0.221	6	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si)	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2{1|Si<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|Si<4>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si){2|N<2>}	112.6160	0.594	2	112.6160	0.353	2	112.3510	0.221	6	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	114.6315	0.182	2	115.1660	0.214	7	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	115.5463	0.349	3	115.1660	0.214	7	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	115.1300	0.030	2	115.1660	0.214	7	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|C<3>,1|N<2>}	115.7110	0.000	1	115.7110	0.000	1	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,1|O<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){1|C<3>,1|N<2>}	118.0710	0.000	1	117.1710	0.677	3	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){1|C<3>,1|N<2>}	116.7210	0.372	2	117.1710	0.677	3	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){2|N<2>}	115.7790	0.321	2	115.7790	0.103	2	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|N<2>,1|N<3>}	115.0100	0.000	1	115.3515	0.233	2	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|N<2>,1|N<3>}	115.6930	0.000	1	115.3515	0.233	2	115.7098	0.837	15	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){1|C<3>,1|N<3>}	112.6535	0.274	4	112.6535	0.075	4	112.6535	0.075	4	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	112.3520	0.000	1	112.0558	0.192	22	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	111.8625	0.186	2	112.0558	0.192	22	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	111.7977	0.608	3	112.0558	0.192	22	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	112.1098	0.436	16	112.0558	0.192	22	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cd)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Cd<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Cd<6>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cd){2|C<3>}	111.8330	0.000	1	111.8330	0.000	1	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cu)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Cu<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Cu<5>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cu){2|C<3>}	111.7360	0.000	1	111.7360	0.000	1	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	111.0330	0.000	1	111.2715	0.114	2	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	111.5100	0.000	1	111.2715	0.114	2	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mn<6>,1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Mn<6>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn){2|C<3>}	111.9700	0.000	1	111.6340	0.226	2	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Mn<6>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn){2|C<3>}	111.2980	0.000	1	111.6340	0.226	2	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mo)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mo<8>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Mo<8>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mo){2|C<3>}	111.9940	0.000	1	111.9940	0.000	1	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Pt<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt){2|C<3>}	112.5250	0.000	1	112.5290	0.337	4	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Pt<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Pt<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt){2|C<3>}	112.5303	0.711	3	112.5290	0.337	4	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Re<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Re<6>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re){2|C<3>}	112.1559	0.275	12	112.1559	0.076	12	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Sn)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Sn<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Sn<5>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Sn){2|C<3>}	112.1520	0.000	1	112.1520	0.000	1	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Zn)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Zn<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Zn<5>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Zn){2|C<3>}	111.5290	0.000	1	111.5290	0.000	1	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	112.1400	0.000	1	112.2190	0.012	2	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	112.2980	0.000	1	112.2190	0.012	2	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Pt<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Pt<4>,1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt){1|C<3>,1|N<2>}	111.9710	0.000	1	111.9710	0.000	1	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Re<6>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Re<6>,1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re){1|C<3>,1|N<2>}	112.2922	0.448	4	112.2922	0.201	4	112.0712	0.192	54	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	115.7970	0.023	2	114.1933	0.410	42	114.2546	0.492	44	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	114.2710	0.491	28	114.1933	0.410	42	114.2546	0.492	44	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	113.8376	0.601	7	114.1933	0.410	42	114.2546	0.492	44	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	113.6148	0.255	5	114.1933	0.410	42	114.2546	0.492	44	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N){2|C<3>}	116.2110	0.000	1	116.2110	0.000	1	114.2546	0.492	44	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	114.8740	0.000	1	114.8740	0.000	1	114.2546	0.492	44	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<3>}	114.3800	0.000	1	114.3800	0.000	1	114.6480	0.144	2	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	114.9160	0.000	1	114.9160	0.000	1	114.6480	0.144	2	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	113.7100	0.000	1	113.7100	0.000	1	114.2430	0.465	9	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	112.9000	0.000	1	112.9000	0.000	1	114.2430	0.465	9	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	114.9800	0.000	1	114.5110	0.188	7	114.2430	0.465	9	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	114.9380	0.000	1	114.5110	0.188	7	114.2430	0.465	9	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	114.5480	0.000	2	114.5110	0.188	7	114.2430	0.465	9	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	114.1877	0.454	3	114.5110	0.188	7	114.2430	0.465	9	113.4185	2.070	136	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5])	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5]){1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|N<2>,2|C<3>}	116.0780	0.000	1	116.0780	0.000	1	116.6773	0.479	3	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|C<3>,2|N<2>}	116.5190	0.000	1	116.9770	0.420	2	116.6773	0.479	3	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|C<3>,2|N<3>}	117.4350	0.000	1	116.9770	0.420	2	116.6773	0.479	3	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	115.4860	0.000	1	115.2858	0.039	5	115.6320	0.286	15	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	115.2357	0.187	4	115.2858	0.039	5	115.6320	0.286	15	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	115.7170	0.000	1	115.7170	0.000	1	115.6320	0.286	15	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	114.9850	0.000	1	114.9850	0.000	1	115.6320	0.286	15	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|N<3>,3|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|N<2>}	115.8638	0.204	5	115.8638	0.042	5	115.6320	0.286	15	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){3|N<2>}	116.5795	0.120	2	116.5795	0.014	2	115.6320	0.286	15	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,1|N<2>,1|S<2>,2|C<4>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|N<2>,1|S<2>}	114.8710	0.000	1	114.8710	0.000	1	115.6320	0.286	15	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2{2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N){1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<2>,2|N<3>}	113.2740	0.000	1	113.2740	0.000	1	113.2740	0.000	1	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	114.3890	0.000	1	114.3890	0.000	1	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	113.8010	0.000	1	113.8010	0.000	1	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	114.7790	0.117	2	114.5784	0.295	17	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	114.5516	0.574	15	114.5784	0.295	17	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	114.5410	0.000	1	115.1701	0.441	7	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	115.7210	0.000	1	115.1701	0.441	7	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	115.7410	0.000	1	115.1701	0.441	7	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	115.0470	0.722	4	115.1701	0.441	7	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	113.7257	1.044	3	114.0490	0.799	5	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	114.8720	0.000	1	114.0490	0.799	5	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	114.1960	0.000	1	114.0490	0.799	5	114.5954	0.502	31	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a]){3|C<3>}	118.1820	0.000	1	118.1770	0.011	3	118.1770	0.011	3	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a]){3|C<3>}	118.1745	0.145	2	118.1770	0.011	3	118.1770	0.011	3	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	111.7990	0.000	1	112.0290	0.058	6	112.0469	0.071	14	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	112.0680	0.243	3	112.0290	0.058	6	112.0469	0.071	14	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	112.0855	0.332	2	112.0290	0.058	6	112.0469	0.071	14	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	111.5740	0.000	1	111.8010	0.103	2	112.0469	0.071	14	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	112.0280	0.000	1	111.8010	0.103	2	112.0469	0.071	14	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Si<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Si<6>,2|C<3>}	112.1467	0.263	6	112.1467	0.069	6	112.0469	0.071	14	114.5288	2.741	67	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,3|N<2>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|C<3>,2|N<2>}	115.1290	0.000	1	115.1290	0.000	1	115.1290	0.000	1	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	115.0230	0.841	2	115.0230	0.708	2	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<3>,1|H<1>,3|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,2|N<2>}	114.8190	0.000	1	114.8190	0.000	1	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,2|N<2>}	114.9070	0.000	1	114.9070	0.000	1	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Co)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Co){1|C<3>,2|N<2>}	113.4960	0.556	2	113.4960	0.309	2	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,2|N<2>}	114.2390	0.656	3	114.5602	0.456	5	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	115.0420	0.437	2	114.5602	0.456	5	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){3|N<2>}	115.0020	0.209	3	115.2658	0.212	5	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	115.6615	0.487	2	115.2658	0.212	5	114.7434	0.568	16	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(N[5a]N[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(N[5a]N[5a,6a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]N[5a]){1|O<2>,4|C<3>}	116.5045	0.187	2	116.5045	0.035	2	116.5045	0.035	2	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C[6])2	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,2|C<3>,2|N<3>}	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	114.3660	0.000	1	114.3660	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|B<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B){1|C<4>,2|C<3>}	114.2260	0.000	1	114.2260	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	113.8203	0.262	4	113.8203	0.068	4	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<5>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co){3|C<3>}	113.9260	0.000	1	114.6613	0.461	7	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co){3|C<3>}	114.9743	0.822	3	114.6613	0.461	7	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co){3|C<3>}	114.5933	0.533	3	114.6613	0.461	7	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Cu<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<5>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu){3|C<3>}	114.6330	0.000	1	114.6330	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){3|C<3>}	115.0367	0.470	4	114.8769	0.291	12	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){3|C<3>}	114.7970	0.584	8	114.8769	0.291	12	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mg)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mg<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mg<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mg){3|C<3>}	114.1140	0.006	2	114.1140	0.000	2	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mn)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mn<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mn<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mn){3|C<3>}	113.7170	0.222	2	113.7170	0.049	2	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ni)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ni<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ni<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ni){3|C<3>}	113.6340	0.000	1	113.6340	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<5>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn){3|C<3>}	114.8690	0.000	1	114.3190	0.231	3	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<6>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn){3|C<3>}	114.0440	0.096	2	114.3190	0.231	3	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	114.7958	0.261	9	114.7958	0.068	9	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	115.2260	0.000	1	115.2260	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|S<2>,2|C<3>}	114.2910	0.480	3	114.2910	0.230	3	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	114.5890	0.000	1	114.5890	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu){1|N<2>,2|C<3>}	114.8380	0.000	1	114.8380	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){1|N<2>,2|C<3>}	115.7670	0.000	1	115.7670	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ru)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ru){1|N<2>,2|C<3>}	115.1585	0.170	2	115.1585	0.029	2	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>}	113.7780	0.014	2	113.7780	0.000	2	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>}	115.0210	0.000	1	115.0210	0.000	1	114.5684	0.353	55	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	114.2260	0.000	1	114.2260	0.000	1	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	114.5260	0.000	1	114.5960	0.010	2	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	114.6660	0.000	1	114.5960	0.010	2	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6])	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	114.4040	0.000	1	114.4040	0.000	1	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){3|C<3>}	115.7175	0.053	4	115.7175	0.003	4	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|C<4>,4|C<3>}	114.5460	0.000	1	114.5460	0.000	1	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	113.6189	0.393	10	113.8178	0.274	13	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	114.4810	0.298	3	113.8178	0.274	13	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	113.1740	0.000	1	114.0158	0.423	6	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	114.1842	0.562	5	114.0158	0.423	6	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	115.0340	0.000	1	114.7880	0.103	3	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	114.6650	0.339	2	114.7880	0.103	3	114.3009	0.604	31	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>}	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	114.6071	0.647	108	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:2:	C[3]-4:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3])	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	114.9435	0.192	2	114.9435	0.037	2	114.6335	0.158	6	114.6335	0.158	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	519	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:2:	C[3]-4:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	114.4785	0.393	4	114.4785	0.154	4	114.6335	0.158	6	114.6335	0.158	6	115.3345	3.337	1100	115.3482	3.543	1101
727	519	537	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a,5a]-3:N[5a]-2:O[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]O[5a])(S[5a]S[5a])	O[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]O)	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|O<1>}	N[5a](C[5a,5a]C[5a,5a]O[5a])(S[5a]S[5a]){2|C<3>}	O[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]O){1|C<3>,2|S<2>}	126.4410	0.000	1	126.4410	0.000	1	126.4410	0.000	1	126.4410	0.000	1	130.6685	35.744	2	130.6685	35.744	2
727	519	537	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	N[5a,5a]-3:O[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a])	O[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a]){4|C<3>}	O[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	134.8960	0.000	1	134.8960	0.000	1	134.8960	0.000	1	134.8960	0.000	1	130.6685	35.744	2	130.6685	35.744	2
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	N[5a](C[5a]O[5a]H)(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]O[5a]H)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	113.3000	0.000	1	113.5795	0.156	2	112.5133	5.308	6	111.3797	13.419	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	N[5a](C[5a]O[5a]H)(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]O[5a]H)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<3>}	113.8590	0.000	1	113.5795	0.156	2	112.5133	5.308	6	111.3797	13.419	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	N[5a](C[5a]O[5a]H)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]O[5a]H)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){2|C<3>}	113.5195	0.419	2	113.5195	0.176	2	112.5133	5.308	6	111.3797	13.419	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	N[5a](C[5a]O[5a]H)(N[5a]C[5a])	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]O[5a]H)(N[5a]C[5a]){1|N<2>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	113.0220	0.000	1	110.4410	13.323	2	112.5133	5.308	6	111.3797	13.419	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	N[5a](C[5a]O[5a]H)(N[5a]C[5a])	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]O[5a]H)(N[5a]C[5a]){1|N<3>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	107.8600	0.000	1	110.4410	13.323	2	112.5133	5.308	6	111.3797	13.419	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:O[5a]-2:S-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(S)	N[5a](C[5a]O[5a]S)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(S){1|C<4>}	N[5a](C[5a]O[5a]S)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	104.5780	0.000	1	104.5780	0.000	1	104.5780	0.000	1	111.3797	13.419	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	114.5630	0.000	1	114.6843	0.011	3	114.4738	0.119	5	111.6593	15.193	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|N<2>,1|N<3>}	O[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	114.7450	0.007	2	114.6843	0.011	3	114.4738	0.119	5	111.6593	15.193	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	114.1580	0.346	2	114.1580	0.120	2	114.4738	0.119	5	111.6593	15.193	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:O[5a]-2:O-1:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]N[5a])(O)	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)	O[5a](C[5a]N[5a]O)(N[5a]N[5a])	C[5a](N[5a]N[5a])(O[5a]N[5a])(O){1|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	106.8480	0.406	2	106.8480	0.165	2	106.9683	0.126	3	111.6593	15.193	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:O[5a]-2:O-1:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]N[5a])(O)	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O)	O[5a](C[5a]N[5a]O)(N[5a]N[5a])	C[5a](N[5a]N[5a])(O[5a]N[5a])(O){1|C<3>}	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O){2|N<2>}	O[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	107.2090	0.000	1	107.2090	0.000	1	106.9683	0.126	3	111.6593	15.193	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H){1|C<3>,1|O<2>,2|H<1>}	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	116.2150	0.000	1	116.6192	0.124	4	116.6192	0.124	4	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	117.0730	0.000	1	116.6192	0.124	4	116.6192	0.124	4	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|N<3>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	116.5945	0.011	2	116.6192	0.124	4	116.6192	0.124	4	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]H){1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	115.3270	0.000	1	115.3270	0.000	1	115.0342	0.157	5	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)	O[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H){3|C<3>}	O[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|N<2>,2|C<3>}	114.8350	0.000	1	114.8350	0.000	1	115.0342	0.157	5	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){3|C<3>}	115.0460	0.699	2	115.0460	0.488	2	115.0342	0.157	5	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	114.9170	0.000	1	114.9170	0.000	1	115.0342	0.157	5	115.8463	0.847	10	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a])	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]){1|H<1>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|H<1>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	112.7410	0.000	1	112.7410	0.000	1	112.2470	0.488	2	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|O<2>}	111.7530	0.000	1	111.7530	0.000	1	112.2470	0.488	2	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	N[5a](C[5a]O[5a]S)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	N[5a](C[5a]O[5a]S)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|C<3>,1|N<2>}	113.8820	0.000	1	113.3251	0.148	13	113.3005	0.202	23	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	N[5a](C[5a]O[5a]S)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	N[5a](C[5a]O[5a]S)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	113.2787	0.362	12	113.3251	0.148	13	113.3005	0.202	23	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	N[5a](C[5a]O[5a]S)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<4>}	N[5a](C[5a]O[5a]S)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	113.0552	0.642	5	113.0552	0.412	5	113.3005	0.202	23	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	N[5a](C[5a]O[5a]S)(N[5a]C[5a])	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	N[5a](C[5a]O[5a]S)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S){2|C<3>}	113.2440	0.578	2	113.2440	0.335	2	113.3005	0.202	23	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6])	N[5a](C[5a]O[5a]S)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6]){1|C<3>}	N[5a](C[5a]O[5a]S)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	113.5610	0.000	1	113.5610	0.000	1	113.3005	0.202	23	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6a])	N[5a](C[5a]O[5a]S)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6a]){1|C<4>}	N[5a](C[5a]O[5a]S)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	113.6805	0.056	2	113.6805	0.003	2	113.3005	0.202	23	113.2162	0.290	25	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC)	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC){1|O<2>}	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|O<2>}	112.1870	0.000	1	112.1870	0.000	1	112.7167	1.293	6	113.1623	2.468	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){2|N<2>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	112.0065	0.104	2	112.0065	0.011	2	112.7167	1.293	6	113.1623	2.468	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<4>}	112.7760	0.000	1	112.7760	0.000	1	112.7167	1.293	6	113.1623	2.468	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	112.3630	0.000	1	113.6620	3.375	2	112.7167	1.293	6	113.1623	2.468	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	114.9610	0.000	1	113.6620	3.375	2	112.7167	1.293	6	113.1623	2.468	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>}	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	113.1623	2.468	7	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.2110	0.000	1	116.2110	0.000	1	116.2110	0.000	1	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH)	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH){1|O<1>,1|S<4>}	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N){1|S<4>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S){1|O<1>}	115.7900	0.000	1	115.7900	0.000	1	115.7900	0.000	1	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	115.5980	0.000	1	115.5980	0.000	1	115.8283	3.947	14	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	116.6053	0.541	6	116.6053	0.293	6	115.8283	3.947	14	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	116.5533	0.382	3	116.5533	0.146	3	115.8283	3.947	14	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	116.8240	0.000	1	116.8240	0.000	1	115.8283	3.947	14	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SCu)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SCu){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	112.6160	0.000	1	112.6160	0.000	1	115.8283	3.947	14	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	117.0500	0.000	1	117.0500	0.000	1	115.8283	3.947	14	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SPt)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SPt){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	110.2160	0.000	1	110.2160	0.000	1	115.8283	3.947	14	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(SSn)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]S)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(O[5a]C[5a])(SSn){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]S){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){3|C<3>}	114.1460	0.000	1	114.1460	0.000	1	114.1460	0.000	1	115.7496	3.386	17	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|O<2>}	112.3580	0.000	1	112.3580	0.000	1	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH){1|C<4>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)2	113.3745	0.982	2	113.3745	0.965	2	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N){1|N<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|N<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	112.8190	0.000	1	112.8190	0.000	1	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|O<2>}	112.2953	0.121	3	112.2953	0.015	3	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN){1|N<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|N<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	112.3965	0.238	2	112.3965	0.057	2	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.8220	0.000	1	112.8220	0.000	1	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|N<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|N<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	113.5030	0.000	1	113.5030	0.000	1	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|C<4>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)2	113.3725	0.182	4	113.3725	0.033	4	112.8947	0.341	15	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]S[5a])(O[5a]C[5a])(CCH)	N[5a](C[5a]O[5a]C)(S[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	C[5a](N[5a]S[5a])(O[5a]C[5a])(CCH){1|O<1>}	N[5a](C[5a]O[5a]C)(S[5a]C[5a]){1|O<1>}	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	112.8853	0.351	3	112.7569	0.187	15	112.6994	0.256	43	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	112.7248	0.458	12	112.7569	0.187	15	112.6994	0.256	43	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S){2|C<3>}	112.7280	0.375	2	112.7280	0.140	2	112.6994	0.256	43	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]N[5a]C[6])2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]N[5a]C[6])2{4|C<3>}	112.6640	0.562	26	112.6640	0.316	26	112.6994	0.256	43	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	112.1330	0.000	1	113.1837	0.835	3	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	113.7090	0.120	2	113.1837	0.835	3	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	113.0080	0.000	1	113.0080	0.000	1	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	113.4070	0.713	2	113.4070	0.508	2	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|H<1>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|H<1>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	113.2930	0.000	1	113.2930	0.000	1	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	112.7303	0.138	3	112.7303	0.019	3	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	112.7730	0.176	5	112.7730	0.031	5	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	110.5365	3.034	2	111.4160	6.924	3	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]O[5a]N)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<4>}	N[5a](C[5a]O[5a]N)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	113.1750	0.000	1	111.4160	6.924	3	112.7206	1.371	18	112.8190	0.961	77	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.4800	0.000	1	113.4800	0.000	1	112.8943	0.426	10	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	112.8502	0.521	6	112.8502	0.272	6	112.8943	0.426	10	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	112.8450	0.000	1	112.8450	0.000	1	112.8943	0.426	10	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	112.7585	1.442	2	112.7585	2.079	2	112.8943	0.426	10	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|C<4>,3|C<3>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>}	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N){2|C<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	113.9980	0.000	1	113.9980	0.000	1	113.4126	0.363	8	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	113.3340	0.475	3	113.3340	0.226	3	113.4126	0.363	8	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	113.1950	0.000	1	113.1950	0.000	1	113.4126	0.363	8	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<2>}	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>}	112.8405	0.028	2	113.3687	0.837	3	113.4126	0.363	8	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|N<3>}	114.4250	0.000	1	113.3687	0.837	3	113.4126	0.363	8	113.0849	0.450	19	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|N<2>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	115.6640	0.000	1	115.6640	0.000	1	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.3420	1.109	2	115.3420	1.229	2	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.0373	0.347	14	115.0373	0.120	14	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	114.7000	0.000	1	114.7000	0.000	1	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.2785	0.634	2	116.2785	0.402	2	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	114.7915	0.534	2	114.7915	0.285	2	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.7215	0.383	2	115.7215	0.146	2	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.6790	0.000	1	115.6790	0.000	1	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.8750	0.000	1	115.8750	0.000	1	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.3990	0.000	1	116.3990	0.000	1	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.1840	0.000	1	115.1840	0.000	1	115.2961	0.355	28	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C){1|C<4>,1|O<2>,2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	113.4530	0.000	1	113.4530	0.000	1	113.8422	0.177	5	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	113.5230	0.000	1	113.5230	0.000	1	113.8422	0.177	5	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	113.9070	0.000	1	113.9070	0.000	1	113.8422	0.177	5	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>}	113.8150	0.000	1	113.8150	0.000	1	113.8422	0.177	5	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	114.5130	0.000	1	114.5130	0.000	1	113.8422	0.177	5	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	116.0203	0.193	3	116.0203	0.037	3	116.0203	0.037	3	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5a]C[5a]2){1|S<2>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	114.5700	0.000	1	114.5700	0.000	1	114.5700	0.000	1	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,4|C<3>}	113.3930	0.000	1	113.3930	0.000	1	113.3930	0.000	1	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	114.1825	0.267	2	114.1825	0.071	2	114.1825	0.071	2	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.6705	0.197	2	114.6705	0.039	2	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	114.9970	0.071	2	114.9970	0.005	2	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	115.3290	0.000	1	114.9190	0.336	2	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<1>,1|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	114.5090	0.000	1	114.9190	0.336	2	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.1960	0.000	1	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	115.8830	0.000	1	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.7907	0.293	3	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	115.2975	0.122	2	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	115.2740	0.000	1	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.9592	0.603	4	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|Br<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.8050	0.000	1	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.4196	0.366	5	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	115.8750	0.000	1	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|C<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	114.4545	0.062	2	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.9004	0.978	25	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	115.0060	0.000	1	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.3970	0.184	2	114.8603	0.619	49	114.8605	0.560	55	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]O[5a]N)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]O[5a]N){1|O<1>,2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<3>}	115.6750	0.000	1	115.6750	0.000	1	115.6750	0.000	1	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	115.3720	0.000	1	115.1607	0.073	3	115.8989	0.834	7	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|O<2>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|Br<1>,2|C<3>}	115.0550	0.281	2	115.1607	0.073	3	115.8989	0.834	7	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]N){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	116.1365	0.011	2	116.1365	0.000	2	115.8989	0.834	7	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	117.6630	0.000	1	117.6630	0.000	1	115.8989	0.834	7	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	115.8740	0.000	1	115.8740	0.000	1	115.8989	0.834	7	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]N)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]N){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){3|C<3>}	114.2700	0.000	1	114.2700	0.000	1	114.8380	0.372	3	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N){1|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	114.7620	0.000	1	114.7620	0.000	1	114.8380	0.372	3	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N){1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	115.4820	0.000	1	115.4820	0.000	1	114.8380	0.372	3	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:O[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|H<1>,4|C<3>}	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	115.0340	0.769	108	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.3905	0.033	2	112.3905	0.001	2	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.3450	0.000	1	112.3450	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]N[5a]C)2	111.1305	0.629	2	111.2450	0.237	3	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<4>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)2	111.4740	0.000	1	111.2450	0.237	3	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	111.9150	0.153	2	111.9150	0.023	2	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<4>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)2	112.4780	0.000	1	112.4780	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<4>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C){1|H<1>,2|C<4>}	112.4830	0.146	2	112.4830	0.021	2	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|N<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|N<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	112.6160	0.000	1	112.6160	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|S<2>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<2>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	112.7308	0.248	4	112.7308	0.062	4	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH){1|S<1>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<1>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	112.8290	0.000	1	112.8290	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<3>,1|O<2>}	112.3145	0.685	2	112.4577	0.119	10	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.4935	0.280	8	112.4577	0.119	10	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]N[5a]C)2	112.4330	0.429	4	112.4330	0.184	4	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<4>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){3|C<4>}	112.6555	0.090	2	112.6555	0.008	2	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.8370	0.000	1	112.8370	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	113.1327	0.147	3	113.1327	0.022	3	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|S<2>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<2>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	113.6200	0.406	2	113.6200	0.165	2	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS){1|C<4>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	O[5a](C[5a]N[5a]C)2	113.0560	0.314	2	113.0560	0.099	2	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH){1|S<2>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<2>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	113.0650	0.000	1	113.0650	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	113.0590	0.000	1	113.0590	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH){1|C<3>}	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	113.0820	0.000	1	113.0820	0.000	1	112.5663	0.319	44	112.5663	0.319	44	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	112.9300	0.000	1	112.9300	0.000	1	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	112.9970	0.854	2	112.9970	0.730	2	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.4810	0.254	4	113.4810	0.064	4	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.8257	0.422	6	113.8257	0.178	6	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	115.8457	0.280	3	115.8457	0.078	3	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH)	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH){1|N<3>}	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C){2|C<4>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	115.9870	0.000	1	115.9870	0.000	1	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.4048	0.388	6	113.4048	0.150	6	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.4173	0.104	6	113.4173	0.011	6	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.3830	0.000	1	113.3558	0.078	6	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	113.3504	0.313	5	113.3558	0.078	6	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.0730	0.000	1	114.0730	0.000	1	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.7345	0.470	12	113.7345	0.221	12	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	112.9797	0.904	7	112.9797	0.816	7	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){2|N<2>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	115.1675	0.018	2	115.1675	0.000	2	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.9820	0.000	1	113.9820	0.000	1	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.1520	0.000	1	113.1520	0.000	1	113.6883	0.717	59	113.6883	0.717	59	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<2>,1|C<3>,1|H<1>}	115.6320	0.000	1	115.6320	0.000	1	115.6320	0.000	1	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.5090	0.014	2	115.5090	0.000	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<4>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	116.4500	0.000	1	116.4040	0.004	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){3|C<3>}	116.3580	0.000	1	116.4040	0.004	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.8525	0.279	2	115.8525	0.078	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<4>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.7745	0.063	2	115.7745	0.004	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|Cl<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cl<1>,2|C<3>}	115.7820	0.000	1	115.8115	0.002	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.8410	0.000	1	115.8115	0.002	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|C<4>,1|N<2>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	115.4920	0.000	1	114.8875	0.731	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|N<3>,1|O<1>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	114.2830	0.000	1	114.8875	0.731	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.1060	0.000	1	115.1865	0.013	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|O<2>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	115.2670	0.000	1	115.1865	0.013	2	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	115.4577	0.266	3	115.4577	0.071	3	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	114.3840	0.000	1	114.3840	0.000	1	115.5338	0.316	18	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH)	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C){1|C<4>,2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	113.6700	0.000	1	113.6700	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	113.4403	0.282	6	113.4403	0.080	6	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	O[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C){4|C<3>}	114.4370	0.000	1	114.4370	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|N<3>}	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C){3|C<4>}	114.8200	0.000	1	114.8200	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]S)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]S)(C[5a]O[5a]C){1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|S<2>}	113.7870	0.000	1	113.7870	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	116.1130	0.000	1	116.1130	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	115.7780	0.000	1	115.7780	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	113.6090	0.151	2	113.6090	0.023	2	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	113.8130	0.000	1	113.5840	0.105	2	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	113.3550	0.000	1	113.5840	0.105	2	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	114.0280	0.000	1	113.9090	0.028	2	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	113.7900	0.000	1	113.9090	0.028	2	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	113.5690	0.000	1	113.5690	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	113.2060	0.000	1	113.2060	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	113.8445	0.762	2	113.8445	0.580	2	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]C[5a]N[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a]N[5])(C[5a]N[5a]C){1|C<4>,2|C<3>}	114.2260	0.000	1	114.2260	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C){1|C<3>}	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|Cl<1>,2|C<3>}	114.1280	0.000	1	114.1280	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]O[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]O[5a]C){1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	113.7650	0.000	1	113.7650	0.000	1	113.9214	0.548	25	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	113.6960	0.151	2	113.6960	0.023	2	113.7297	0.015	3	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	113.7970	0.000	1	113.7970	0.000	1	113.7297	0.015	3	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[4]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	115.7862	0.240	10	115.7862	0.058	10	115.7862	0.058	10	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:O[5a]-2:C[5]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	115.5252	0.426	4	115.5252	0.181	4	115.5252	0.181	4	114.8267	1.076	61	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){4|C<3>}	112.5520	0.000	1	112.5520	0.000	1	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,3|C<3>}	112.8435	0.446	4	112.8435	0.199	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	112.4920	0.000	1	112.5975	0.022	2	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<3>}	112.7030	0.000	1	112.5975	0.022	2	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	113.0460	0.000	1	112.8047	0.113	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	112.6240	0.000	1	112.8047	0.113	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,1|O<2>,2|N<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	113.1260	0.000	1	112.8047	0.113	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	112.4230	0.000	1	112.8047	0.113	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|N<2>,1|N<3>,1|O<2>}	113.7505	0.729	2	113.1813	0.489	9	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|N<3>}	113.3830	0.000	1	113.1813	0.489	9	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|N<3>}	113.5500	0.000	1	113.1813	0.489	9	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|O<2>,2|N<2>}	113.3540	0.322	2	113.1813	0.489	9	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|N<2>}	112.4967	0.703	3	113.1813	0.489	9	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|O<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<2>,3|C<3>}	112.7975	0.026	2	112.7975	0.001	2	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	112.4375	0.845	2	112.4595	0.394	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|S<4>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	112.4815	0.682	2	112.4595	0.394	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|N<2>,1|O<2>,1|S<2>}	112.9270	0.000	1	112.5854	0.121	7	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|S<2>}	112.9240	0.300	2	112.5854	0.121	7	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|S<2>}	112.3307	0.102	4	112.5854	0.121	7	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	113.9932	0.303	10	113.9932	0.092	10	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|O<2>}	114.2747	0.342	4	114.2747	0.117	4	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|N<2>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|O<2>,2|N<2>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|O<2>}	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|N<2>,1|N<3>,1|O<2>}	113.9385	0.054	2	113.8720	0.107	5	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|N<2>,1|O<2>,1|S<2>}	113.3250	0.000	1	113.8720	0.107	5	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|O<2>,2|N<2>}	114.0790	0.174	2	113.8720	0.107	5	113.2480	0.555	53	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]S[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(S[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<2>}	N[5a](C[5a]C[5a]O[5a])(S[5a]C[5a]){1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O){2|C<3>}	118.8550	0.000	1	118.8550	0.000	1	119.5717	0.506	3	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(S[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)	C[5a](C[5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5a](C[5a]C[5a]O[5a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|S<2>}	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O){1|C<3>,1|S<2>}	119.9300	0.492	2	119.9300	0.242	2	119.5717	0.506	3	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Cu<6>,1|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|N<3>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|N<3>,3|C<3>}	112.8990	0.000	1	112.7787	0.014	3	112.7787	0.014	3	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|N<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){2|C<3>,2|N<2>}	112.7750	0.000	1	112.7787	0.014	3	112.7787	0.014	3	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Zn<6>,1|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|N<3>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|N<3>,3|C<3>}	112.6620	0.000	1	112.7787	0.014	3	112.7787	0.014	3	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|H<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){2|C<3>}	111.7560	0.000	1	111.7560	0.000	1	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){1|Cl<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	112.5430	0.209	2	112.2597	0.263	3	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	111.6930	0.000	1	112.2597	0.263	3	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a]){2|C<3>,3|C<4>}	112.6630	0.375	3	112.6630	0.141	3	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	111.9070	0.000	1	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<2>,3|C<3>}	111.3565	0.087	2	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	113.4760	0.000	1	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	111.7580	0.000	1	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	112.5850	0.000	1	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	112.5710	0.195	2	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	112.4927	0.469	6	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,3|C<3>}	112.0943	0.319	4	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	112.2300	0.023	2	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){4|C<3>}	112.1860	0.000	1	112.2648	0.284	21	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.1310	0.181	2	112.2960	0.044	20	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.3650	0.000	1	112.2960	0.044	20	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.3340	0.000	1	112.2960	0.044	20	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.2984	0.232	14	112.2960	0.044	20	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.5030	0.000	1	112.2960	0.044	20	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	112.2790	0.000	1	112.2960	0.044	20	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>}	112.3430	0.375	4	112.3430	0.141	4	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	112.1150	0.000	1	112.6112	0.197	18	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	112.1877	0.438	3	112.6112	0.197	18	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|N<3>,3|C<3>}	112.5790	0.098	2	112.6112	0.197	18	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	112.7638	0.415	12	112.6112	0.197	18	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|H<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){2|C<3>}	112.2340	0.000	1	112.2340	0.000	1	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	111.4800	0.378	2	111.9344	0.375	7	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	112.1162	0.619	5	111.9344	0.375	7	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	112.2200	0.000	1	112.1955	0.108	13	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	111.9850	0.000	1	112.1955	0.108	13	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	112.2125	0.353	11	112.1955	0.108	13	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	111.8286	0.136	5	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	111.9490	0.000	2	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	111.9200	0.000	1	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	112.6430	0.000	1	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	111.6978	0.720	6	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	112.0283	0.429	9	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	112.3960	0.376	12	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	112.6700	0.000	1	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	112.0493	0.321	8	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	113.1480	0.000	1	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	112.3178	0.578	176	112.2745	0.320	222	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){2|C<3>,2|N<2>}	113.2230	0.000	1	113.2230	0.000	1	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	112.5300	0.000	1	112.5300	0.000	1	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|C<3>,1|N<2>}	112.2640	0.000	1	112.2640	0.000	1	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])2{2|C<3>,2|N<2>}	112.5503	0.136	4	112.5503	0.018	4	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<3>,1|O<2>}	113.0840	0.181	2	113.0840	0.033	2	112.2982	0.285	322	112.4914	0.828	381	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[5]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C)	O[5a](C[5a]N[5a]C[5])(N[5a]C[5a])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<3>,1|O<2>,2|C<2>}	N[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]C[5])(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<2>}	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6]N[5a])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a,6]N[5a])(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,2|N<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	112.8595	0.049	2	112.8595	0.002	2	114.4858	0.803	13	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|N<3>,3|N<2>}	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	114.2220	0.309	5	114.2220	0.096	5	114.4858	0.803	13	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	115.2708	0.167	5	115.2708	0.028	5	114.4858	0.803	13	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	115.1320	0.000	1	115.1320	0.000	1	114.4858	0.803	13	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|O<2>,3|C<3>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|O<2>,2|C<3>}	113.9030	0.000	1	113.9030	0.000	1	113.9030	0.000	1	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	112.2650	0.000	1	112.6769	1.014	17	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	112.1150	0.000	1	112.6769	1.014	17	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	112.7120	1.139	13	112.6769	1.014	17	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	112.9355	0.148	2	112.6769	1.014	17	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	113.6710	0.000	1	113.3670	0.185	2	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	113.0630	0.000	1	113.3670	0.185	2	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	113.1575	0.120	2	113.2850	0.109	4	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	113.4125	0.499	2	113.2850	0.109	4	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5]){1|N<2>,3|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	113.4790	0.000	1	113.4790	0.000	1	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6]){1|C<4>,3|C<3>}	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	112.4500	0.000	1	112.4500	0.000	1	112.8524	0.796	25	113.4368	1.335	40	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|N<3>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	115.6910	0.000	1	115.6910	0.000	1	116.1573	0.200	9	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	116.1345	0.054	2	116.1820	0.020	4	116.1573	0.200	9	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|O<2>,4|C<3>}	116.2295	0.218	2	116.1820	0.020	4	116.1573	0.200	9	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	115.6910	0.079	2	115.6910	0.006	2	116.1573	0.200	9	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	116.8075	0.173	2	116.8075	0.030	2	116.1573	0.200	9	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a]){1|N<3>,4|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){3|C<3>}	114.4220	0.000	1	114.4220	0.000	1	114.4665	0.248	4	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C){1|C<3>,2|N<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|N<3>,2|C<3>}	113.7840	0.000	1	113.7840	0.000	1	114.4665	0.248	4	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	114.7480	0.000	1	114.7480	0.000	1	114.4665	0.248	4	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|S<2>}	114.9120	0.000	1	114.9120	0.000	1	114.4665	0.248	4	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,1|N<3>,3|C<3>}	113.2410	0.518	2	113.2410	0.268	2	113.2410	0.268	2	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<2>,3|C<3>}	115.5150	0.000	1	116.0595	0.343	6	116.0595	0.343	6	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	116.1684	0.582	5	116.0595	0.343	6	116.0595	0.343	6	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	113.4773	0.479	12	113.4773	0.230	12	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|O<2>,4|C<3>}	113.7770	0.168	2	113.7730	0.014	3	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|S<2>,4|C<3>}	113.7650	0.000	1	113.7730	0.014	3	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	113.6708	0.246	5	113.6708	0.061	5	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	114.2105	0.139	2	114.0378	0.069	4	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,4|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	113.8650	0.263	2	114.0378	0.069	4	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	113.4930	0.000	1	113.4930	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){5|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	113.8160	0.000	1	113.8160	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){1|N<2>,2|C<3>,2|N<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){5|C<3>}	113.2570	0.000	1	113.2570	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S){3|C<3>}	113.9420	0.000	1	113.9420	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,4|C<3>}	114.8550	0.000	1	114.8550	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	112.8670	0.000	1	113.4775	0.182	4	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	113.5920	0.028	2	113.4775	0.182	4	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	113.8590	0.000	1	113.4775	0.182	4	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	113.4630	0.000	1	113.4630	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|C<2>,4|C<3>}	114.4525	2.582	2	114.4525	6.665	2	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	113.5870	0.000	1	113.8031	0.063	9	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	113.8370	0.302	3	113.8031	0.063	9	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	114.1095	0.039	2	113.8031	0.063	9	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	113.6240	0.000	1	113.8031	0.063	9	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	113.6120	0.000	1	113.8031	0.063	9	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	113.6750	0.000	1	113.8031	0.063	9	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	113.3910	0.387	2	113.6150	0.226	3	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	114.0630	0.000	1	113.6150	0.226	3	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|C<2>,2|C<3>}	113.4260	0.276	2	113.4260	0.076	2	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O){3|C<3>}	114.2860	0.000	1	114.2860	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[6])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Cl)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[6]){1|Cl<1>,1|H<1>,2|C<3>,2|S<2>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Cl){1|C<4>,2|C<3>}	113.7470	0.000	1	113.7470	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	114.0790	0.000	1	113.2521	0.256	14	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	113.1550	0.127	2	113.2521	0.256	14	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	113.3790	0.000	1	113.2521	0.256	14	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	113.1762	0.531	10	113.2521	0.256	14	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	113.5660	0.000	1	113.5660	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	113.1550	0.269	2	113.4894	0.150	17	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	113.7830	0.000	1	113.4894	0.150	17	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	112.7010	0.000	1	113.4894	0.150	17	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	113.5493	0.347	11	113.4894	0.150	17	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	113.7420	0.122	2	113.4894	0.150	17	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	114.2300	0.000	1	114.2300	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N){3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	113.3820	0.000	1	113.3820	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]O)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]O){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	113.7920	0.000	1	113.7920	0.000	1	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|S<4>,2|C<3>}	113.6160	0.000	1	113.9190	0.184	2	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|S<2>,2|C<3>}	114.2220	0.000	1	113.9190	0.184	2	113.6046	0.286	89	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,2|C<3>}	113.2170	0.000	1	113.4827	0.067	3	113.2497	0.389	6	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,2|C<3>}	113.6155	0.168	2	113.4827	0.067	3	113.2497	0.389	6	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){3|C<3>}	113.4270	0.000	1	113.5115	0.014	2	113.2497	0.389	6	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){3|C<3>}	113.5960	0.000	1	113.5115	0.014	2	113.2497	0.389	6	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H){1|O<1>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	112.0270	0.000	1	112.0270	0.000	1	113.2497	0.389	6	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,1|N<2>,3|C<3>}	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	113.9662	1.129	117	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:3:	3:4:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:B[5a]-4:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF){3|C<3>}	118.6450	0.466	9	118.6450	0.217	9	118.6450	0.217	9	118.6450	0.217	9	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	3:2:2:	3:4:	4:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-4:	B[5a]-4:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH)	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH){4|C<3>}	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	119.7320	0.064	2	119.7320	0.004	2	119.7320	0.004	2	119.7320	0.004	2	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:2:	3:3:	C[3]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[3])(N[5a]C[5a])	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C)	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,4|H<1>}	N[5a](C[5a]O[5a]C[3])(N[5a]C[5a]){1|H<1>,3|C<4>}	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C){1|H<1>,2|C<4>}	111.5150	0.335	2	111.5150	0.112	2	111.5150	0.112	2	112.3491	0.410	12	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:2:	3:3:	C[3x6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[3x6]O[5a])(N[5a]C[5a])	O[5a](C[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,6|H<1>}	N[5a](C[5a]C[3x6]O[5a])(N[5a]C[5a]){1|C<3>,3|C<4>}	O[5a](C[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a]){2|C<3>,3|C<4>}	112.4713	0.056	3	112.4713	0.003	3	112.4713	0.003	3	112.3491	0.410	12	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:2:	3:3:	C[5]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[5]C[5]2Fe)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[5])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])	C[5a](C[5]C[5]2Fe)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]O[5a]C[5])(N[5a]C[5a]){1|Fe<10>,1|C<3>,2|C<4>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>}	113.0093	0.282	4	113.0093	0.079	4	113.0093	0.079	4	112.3491	0.410	12	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:2:	3:3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a]){3|H<1>,4|C<4>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){4|C<4>}	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){3|C<4>}	111.7240	0.431	2	111.7240	0.186	2	111.9027	0.189	3	112.3491	0.410	12	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:2:	3:3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	112.2600	0.000	1	112.2600	0.000	1	111.9027	0.189	3	112.3491	0.410	12	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:2:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a])	O[5a](C[5a]C[5,5]N[5a])(N[5a]C[5a])	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O[5a](C[5a]C[5,5]N[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	113.3878	0.192	6	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:2:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	113.2630	0.000	1	113.4405	0.063	2	113.2322	0.059	5	113.3878	0.192	6	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:2:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,1|N<2>,1|S<2>,2|C<4>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	113.6180	0.000	1	113.4405	0.063	2	113.2322	0.059	5	113.3878	0.192	6	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:2:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	113.0660	0.148	2	113.0933	0.013	3	113.2322	0.059	5	113.3878	0.192	6	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:2:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	113.1480	0.000	1	113.0933	0.013	3	113.2322	0.059	5	113.3878	0.192	6	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[3]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O)	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O){1|C<3>,1|H<1>,2|C<4>}	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]N[5a])	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]O[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[5,6]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]O[5a]){2|C<3>,2|C<4>,2|H<1>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a]){2|C<3>,2|C<4>,2|H<1>}	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[5]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	115.9950	0.000	1	115.9950	0.000	1	115.9950	0.000	1	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>}	113.9500	0.000	1	113.9500	0.000	1	113.7655	0.030	4	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6])	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,3|C<4>}	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	113.6630	0.000	1	113.6630	0.000	1	113.7655	0.030	4	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]N)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<4>}	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<4>}	113.5810	0.000	1	113.5810	0.000	1	113.7655	0.030	4	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	537	5:SP2_SP2_SP2	C[5a]	N[5a]	O[5a]	4:2:2:	3:3:	3:3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<4>}	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|H<1>}	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|H<1>}	113.8680	0.000	1	113.8680	0.000	1	113.7655	0.030	4	114.3175	1.184	8	113.3992	2.412	1017	113.3992	2.412	1017
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:2:3:	3:2:	3:4:1:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5]-4:H-1:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a])	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H){4|H<1>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a]){1|H<1>,2|C<4>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H){2|H<1>,2|N<2>}	138.9130	0.000	1	138.9130	0.000	1	138.9130	0.000	1	138.9130	0.000	1	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:2:3:	3:2:	3:4:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5]-4:N-2:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a])	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N){4|H<1>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a]){1|N<2>,2|C<4>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO){2|H<1>,2|N<2>}	139.4490	0.000	1	139.4490	0.000	1	139.4490	0.000	1	139.4490	0.000	1	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:1:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H){1|H<1>,2|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H){1|C<3>,1|N<3>}	140.9520	0.000	1	140.9520	0.000	1	140.9520	0.000	1	140.9520	0.000	1	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-3:N-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<2>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,3|N<2>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN){1|C<3>,1|N<3>}	141.6610	0.000	1	141.6610	0.000	1	141.6610	0.000	1	141.6610	0.000	1	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:3:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-3:N-3:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|N<3>,2|H<1>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH){1|C<3>,1|N<3>}	141.7835	1.664	2	141.7835	2.768	2	141.2344	1.103	5	141.2344	1.103	5	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:3:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-3:N-3:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH){1|C<3>,1|N<3>}	140.8683	0.564	3	140.8683	0.318	3	141.2344	1.103	5	141.2344	1.103	5	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:2:3:	3:3:	3:4:4:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	133.8160	0.000	1	133.8160	0.000	1	133.8160	0.000	1	133.8160	0.000	1	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5]	3:3:2:	3:3:	3:3:2:	N[5,5a]-3:N[5]-3:N[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[6a]-3:S[5]-2:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<2>,4|C<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	133.8340	0.000	1	133.8340	0.000	1	133.8340	0.000	1	133.8340	0.000	1	139.5270	9.098	11	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]C[5a]H)	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]C[5a]H){4|C<3>}	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H){1|Cu<5>,1|H<1>,4|C<3>}	125.7520	0.000	1	125.7520	0.000	1	125.7520	0.000	1	125.7520	0.000	1	126.2530	0.502	2	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5,6]	3:3:2:	3:3:	3:3:4:	N[5,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5,6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH)	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5,6]){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	126.7540	0.000	1	126.7540	0.000	1	126.7540	0.000	1	126.7540	0.000	1	126.2530	0.502	2	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:2:	3:4:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]S[5a]N[5])(N[5a]C[5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5a](C[5a]S[5a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	120.5470	0.651	8	120.5470	0.424	8	120.5470	0.424	8	120.5470	0.424	8	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5])	N[5](C[5a]N[5a]O[5a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5]){1|H<1>,4|C<3>}	N[5](C[5a]N[5a]O[5a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	123.2025	0.728	6	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,4|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2{1|S<2>,2|C<3>,3|H<1>}	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	123.2025	0.728	6	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|H<1>,2|O<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|H<1>,4|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2{4|C<3>}	123.0807	0.137	3	123.0807	0.019	3	122.8907	0.157	4	123.2025	0.728	6	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){2|C<3>,2|C<4>,2|O<1>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2{4|C<3>}	122.3210	0.000	1	122.3210	0.000	1	122.8907	0.157	4	123.2025	0.728	6	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:4:2:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]){2|H<1>,3|C<3>}	122.7490	0.000	1	122.7490	0.000	1	122.7665	0.001	2	122.7665	0.001	2	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:4:2:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	122.7840	0.000	1	122.7840	0.000	1	122.7665	0.001	2	122.7665	0.001	2	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:4:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	121.4460	0.000	1	121.4460	0.000	1	121.6840	0.113	2	121.6618	0.263	5	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:4:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O){1|H<1>,1|O<2>,3|C<3>}	121.9220	0.000	1	121.9220	0.000	1	121.6840	0.113	2	121.6618	0.263	5	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:4:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|Br<1>,1|C<4>,3|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	121.2595	0.192	2	121.2595	0.037	2	121.6470	0.469	3	121.6618	0.263	5	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:4:3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){4|C<3>}	122.4220	0.000	1	122.4220	0.000	1	121.6470	0.469	3	121.6618	0.263	5	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	2:2:3:	3:3:	3:4:4:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|N<2>,2|C<4>,5|H<1>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H){1|N<2>,2|C<4>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	123.3935	0.107	2	123.3935	0.011	2	123.3935	0.011	2	123.3935	0.011	2	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:2:	3:3:2:	N[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5]){1|N<2>,3|N<3>}	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:2:	3:3:3:	N[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:2:	4:3:3:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5a](N[5]C[5,6]C[5])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(N[5a]C[5a])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5a](N[5]C[5,6]C[5])(N[5a]N[5a])(S[5a]C[5a]){1|O<1>,5|C<3>}	N[5a](C[5a]S[5a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){1|N<2>,7|C<3>}	122.0580	0.000	1	122.0580	0.000	1	122.0580	0.000	1	122.0580	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:3:2:	N[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5]){1|N<2>,3|N<3>}	122.2560	0.000	1	122.2560	0.000	1	122.2560	0.000	1	122.2560	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:3:3:	N[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5,5a])(S[5a]C[5,5a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5,5a])(S[5a]C[5,5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]N[5]){1|N<2>,2|C<3>,2|C<4>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	123.5693	0.184	3	123.5693	0.034	3	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	124.1550	0.000	1	123.1296	0.755	10	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	123.0157	0.839	9	123.1296	0.755	10	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	121.1960	0.000	1	121.7295	0.569	2	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	122.2630	0.000	1	121.7295	0.569	2	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	123.9070	0.000	1	122.4417	2.403	3	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,2|N<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	122.5990	0.000	1	122.4417	2.403	3	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	120.8190	0.000	1	122.4417	2.403	3	122.9327	1.027	18	122.9884	1.029	19	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	4:3:3:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|O<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){8|C<3>}	122.4157	0.577	3	122.4157	0.333	3	122.4157	0.333	3	122.4157	0.333	3	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:2:	3:4:3:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.2070	0.000	1	120.2070	0.000	1	120.2070	0.000	1	118.7105	4.479	2	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:2:	3:4:3:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(O[5a]C[5a])	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,1|O<2>,3|C<3>}	117.2140	0.000	1	117.2140	0.000	1	117.2140	0.000	1	118.7105	4.479	2	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:2:	3:4:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:C[5]-4:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	124.9270	0.000	1	124.9270	0.000	1	124.2657	0.369	3	124.2657	0.369	3	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:2:	3:4:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:C[5]-4:	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])	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	124.1380	0.000	1	123.9350	0.082	2	124.2657	0.369	3	124.2657	0.369	3	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:2:	3:4:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:C[5]-4:	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])	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){3|C<4>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<4>,2|N<2>,4|H<1>}	123.7320	0.000	1	123.9350	0.082	2	124.2657	0.369	3	124.2657	0.369	3	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	122.7073	0.665	3	122.7073	0.442	3	122.9101	5.197	10	122.9101	5.197	10	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	121.3763	0.690	3	121.3763	0.476	3	122.9101	5.197	10	122.9101	5.197	10	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	121.4650	0.767	2	121.4650	0.588	2	122.9101	5.197	10	122.9101	5.197	10	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5a]N[5a]2)(C[5]C[5]Ir)(C[5]N[5]C)	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]Ir)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	127.2660	0.000	1	127.2660	0.000	1	122.9101	5.197	10	122.9101	5.197	10	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5a]N[5a]2)(C[5]C[5]Ru)(C[5]N[5]C)	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Ru<9>,1|H<1>,4|C<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]Ru)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	126.6540	0.000	1	126.6540	0.000	1	122.9101	5.197	10	122.9101	5.197	10	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C){1|C<4>,2|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	120.6690	0.000	1	120.6690	0.000	1	120.6690	0.000	1	119.9437	0.435	3	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|C<3>,3|C<4>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5810	0.286	2	119.5810	0.082	2	119.5810	0.082	2	119.9437	0.435	3	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:4:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,1|N<2>,5|H<1>}	126.5040	0.000	1	126.5040	0.000	1	126.5040	0.000	1	126.5040	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:3:2:	3:2:	3:3:2:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:3:2:	3:2:	3:3:3:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H)	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H){1|Ir<8>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	124.8330	0.000	1	124.8330	0.000	1	124.8330	0.000	1	123.8145	2.075	2	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5a](N[5]C[5,6a]N[5])(N[5a]C[5a,6a]Cd)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]N[5]Cd)	C[5a](N[5]C[5,6a]N[5])(N[5a]C[5a,6a]Cd)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]N[5]Cd){1|H<1>,4|C<3>}	122.7960	0.000	1	122.7960	0.000	1	122.7960	0.000	1	123.8145	2.075	2	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:3:2:	3:3:	4:3:3:	N[5a]-3:N[5]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O)	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|C<4>,4|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O){1|N<2>,4|C<3>,4|H<1>}	125.4160	0.000	1	125.4160	0.000	1	125.4160	0.000	1	125.4160	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5]	3:3:2:	3:3:	4:3:4:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,2|O<1>,4|C<4>}	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|H<1>,1|S<4>,2|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	122.3921	3.167	76	124.5967	35.863	89
727	519	542	0:SP2_SP2_SP3	C[5,5a]	N[5a]	N[5]	3:2:3:	3:3:	3:4:4:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	134.9020	0.000	1	134.9020	0.000	1	134.9020	0.000	1	134.9020	0.000	1	134.9020	0.000	1	125.3227	41.964	4
727	519	542	0:SP2_SP2_SP3	C[5a]	N[5a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	122.1297	1.771	3	125.3227	41.964	4
727	519	542	0:SP2_SP2_SP3	C[5a]	N[5a]	N[5]	3:2:3:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-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]H)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	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>}	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	122.1297	1.771	3	125.3227	41.964	4
727	519	542	0:SP2_SP2_SP3	C[5a]	N[5a]	N[5]	3:3:2:	3:3:	4:3:4:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,2|O<1>,4|C<4>}	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|H<1>,1|S<4>,2|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	122.1297	1.771	3	125.3227	41.964	4
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a]){1|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	116.7750	0.000	1	116.7750	0.000	1	116.8102	0.626	4	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a]){1|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	116.5010	1.121	2	116.8220	0.938	3	116.8102	0.626	4	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a]){1|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.4640	0.000	1	116.8220	0.938	3	116.8102	0.626	4	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	119.4262	0.129	4	119.4262	0.017	4	119.2808	0.047	10	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	119.1185	0.415	2	119.1838	0.046	6	119.2808	0.047	10	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	119.1780	0.121	3	119.1838	0.046	6	119.2808	0.047	10	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	119.3320	0.000	1	119.1838	0.046	6	119.2808	0.047	10	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[6]){1|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.2390	0.000	1	122.2390	0.000	1	122.2390	0.000	1	118.8914	2.066	17	119.3033	3.370	19	119.3033	3.370	19
727	519	622	0:SP2_SP2_SP2	C[5a,6]	N[5a]	O[6]	3:2:2:	3:3:	3:4:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF)	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6]){1|B<4>,1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF){1|N<3>,3|C<3>}	122.8040	0.454	2	122.8040	0.206	2	122.8040	0.206	2	122.8040	0.206	2	119.3033	3.370	19	119.3033	3.370	19
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a])	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6])	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a]){2|C<4>,2|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6]){2|C<3>,2|C<4>}	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	129.2170	0.000	1	129.2170	0.000	1	129.9030	0.941	2	129.8380	3.660	6	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a])	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6])	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6]){2|C<3>,2|C<4>}	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	130.5890	0.000	1	130.5890	0.000	1	129.9030	0.941	2	129.8380	3.660	6	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	132.2630	0.000	1	132.2630	0.000	1	132.2630	0.000	1	129.8380	3.660	6	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]F)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a]){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(O[5a]C[5a]){2|C<3>,2|C<4>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	128.2490	0.000	1	128.2490	0.000	1	127.7725	0.454	2	129.8380	3.660	6	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(O[5a]C[5a]){2|C<3>,2|C<4>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	127.2960	0.000	1	127.2960	0.000	1	127.7725	0.454	2	129.8380	3.660	6	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	131.4140	0.000	1	131.4140	0.000	1	131.4140	0.000	1	129.8380	3.660	6	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	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])	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	130.2130	0.000	1	130.4756	0.024	5	130.4756	0.024	5	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	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])	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	130.5412	0.058	4	130.4756	0.024	5	130.4756	0.024	5	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	129.9270	0.000	1	129.9270	0.000	1	129.9270	0.000	1	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	123.1820	0.000	1	123.1820	0.000	1	122.3543	0.890	4	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	122.6185	0.067	2	122.6185	0.005	2	122.3543	0.890	4	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]S[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]S[5a]){1|S<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	120.9980	0.000	1	120.9980	0.000	1	122.3543	0.890	4	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	125.4386	0.597	10	125.4386	0.356	10	125.3395	0.429	11	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	124.3480	0.000	1	124.3480	0.000	1	125.3395	0.429	11	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	127.5970	0.215	3	127.5032	0.347	14	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	127.1280	0.321	2	127.5032	0.347	14	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	127.6615	0.494	2	127.5032	0.347	14	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){2|C<3>,2|C<4>,2|N<2>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	128.0515	0.026	2	127.5032	0.347	14	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	127.0227	0.487	3	127.5032	0.347	14	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	126.7970	0.000	1	127.5032	0.347	14	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	128.7070	0.000	1	127.5032	0.347	14	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	127.2550	0.000	1	128.1667	0.396	16	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	126.9700	0.000	1	128.1667	0.396	16	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	129.3840	0.000	1	128.1667	0.396	16	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.2352	0.422	13	128.1667	0.396	16	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.3610	0.000	1	124.3610	0.000	1	127.7443	0.852	31	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	127.3590	0.000	1	127.3590	0.000	1	128.3652	0.668	5	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){6|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	129.2730	0.000	1	128.6167	0.469	4	128.3652	0.668	5	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.5030	0.000	1	128.6167	0.469	4	128.3652	0.668	5	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	127.7070	0.000	1	128.6167	0.469	4	128.3652	0.668	5	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.9840	0.000	1	128.6167	0.469	4	128.3652	0.668	5	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	126.8710	0.136	3	126.8710	0.019	3	126.8710	0.019	3	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|Pd<7>,1|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a]){1|Pd<7>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.6690	0.000	1	126.6690	0.000	1	126.6690	0.000	1	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){6|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	126.6635	0.226	2	126.3455	0.398	4	126.3455	0.398	4	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){1|C<4>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	126.0275	0.859	2	126.3455	0.398	4	126.3455	0.398	4	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	127.3630	0.000	1	127.3630	0.000	1	127.3630	0.000	1	127.1573	3.831	66	127.3807	4.322	72	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a]){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	124.7480	0.000	1	124.7480	0.000	1	124.7480	0.000	1	124.7480	0.000	1	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[5,6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[5,6])(N[5a]S[5a]){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a]){3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,2|C<4>,2|N<2>,4|C<3>}	125.7218	1.021	4	125.7218	1.042	4	125.7218	1.042	4	125.4567	0.593	20	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a]){3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	125.2195	0.868	2	125.2879	0.337	14	125.3905	0.519	16	125.4567	0.593	20	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a]){3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	125.2993	0.574	12	125.2879	0.337	14	125.3905	0.519	16	125.4567	0.593	20	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a]){3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	127.1630	0.000	1	127.1630	0.000	1	125.3905	0.519	16	125.4567	0.593	20	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a]){3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	125.0540	0.000	1	125.0540	0.000	1	125.3905	0.519	16	125.4567	0.593	20	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(S[5a]N[5a]){1|C<4>,2|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){1|C<3>,1|N<2>,1|S<2>,3|C<4>,3|H<1>}	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	128.4770	0.000	1	129.0375	2.457	4	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|H<1>,2|N<3>,3|C<3>}	128.5070	0.000	1	129.0375	2.457	4	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,2|N<3>,3|C<3>}	127.8250	0.000	1	129.0375	2.457	4	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,2|N<3>,3|C<3>}	131.3410	0.000	1	129.0375	2.457	4	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	128.4950	0.000	1	127.8567	0.633	19	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,2|N<3>,3|C<3>}	128.0900	0.500	3	127.8567	0.633	19	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,2|N<3>,3|C<3>}	128.5320	1.854	2	127.8567	0.633	19	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	127.3421	0.527	7	127.8567	0.633	19	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	128.2503	0.978	3	127.8567	0.633	19	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,2|N<3>,3|C<3>}	127.7673	0.163	3	127.8567	0.633	19	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	126.8205	0.742	2	128.0879	0.954	7	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|H<1>,2|N<3>,3|C<3>}	127.9410	0.000	1	128.0879	0.954	7	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	128.6780	0.000	1	128.0879	0.954	7	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,2|N<3>,3|C<3>}	128.6370	0.040	2	128.0879	0.954	7	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,2|N<3>,3|C<3>}	129.0810	0.000	1	128.0879	0.954	7	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	127.1370	0.000	1	127.1370	0.000	1	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	128.2540	0.000	1	128.2540	0.000	1	128.0448	0.967	32	128.0448	0.967	32	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	128.4810	1.622	2	128.6590	1.411	3	128.9297	1.234	4	128.9297	1.234	4	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	129.0150	0.000	1	128.6590	1.411	3	128.9297	1.234	4	128.9297	1.234	4	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	129.7420	0.000	1	129.7420	0.000	1	128.9297	1.234	4	128.9297	1.234	4	127.1285	2.577	58	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	131.8140	0.000	1	131.8140	0.000	1	131.8140	0.000	1	131.8140	0.000	1	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]S[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a]){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	125.1902	0.475	4	125.1902	0.226	4	125.1902	0.226	4	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a]){3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,6|C<3>}	126.9554	1.085	8	126.9554	1.177	8	126.9554	1.177	8	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	136.9490	0.000	1	136.9490	0.000	1	134.1090	16.131	2	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.2690	0.000	1	131.2690	0.000	1	134.1090	16.131	2	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a]){4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	125.6400	0.000	1	125.6400	0.000	1	126.8575	2.965	2	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]O[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]N[5a]){3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<2>,3|C<3>}	128.0750	0.000	1	128.0750	0.000	1	126.8575	2.965	2	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a]){3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	124.9773	0.131	3	125.4584	0.502	5	124.4181	3.538	7	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a]){3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	126.1800	0.488	2	125.4584	0.502	5	124.4181	3.538	7	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]S[5a]){3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	121.8175	0.534	2	121.8175	0.285	2	124.4181	3.538	7	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a]){1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]N[5a]){3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|B<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	125.2535	0.128	2	125.2535	0.016	2	125.2535	0.016	2	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	130.3020	0.000	1	130.3020	0.000	1	130.3271	3.093	16	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	128.6993	0.227	4	128.6993	0.051	4	130.3271	3.093	16	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	132.2760	0.197	2	131.8930	0.685	7	130.3271	3.093	16	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	131.7398	0.957	5	131.8930	0.685	7	130.3271	3.093	16	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	128.0770	0.000	1	128.0770	0.000	1	130.3271	3.093	16	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a]){3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	131.8650	0.000	1	131.8650	0.000	1	130.3271	3.093	16	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	128.4710	0.204	2	128.4710	0.041	2	130.3271	3.093	16	127.9270	10.113	41	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	132.7460	0.000	1	132.7460	0.000	1	132.7460	0.000	1	132.7460	0.000	1	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5,5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5,5a]){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	125.8990	0.000	1	125.8990	0.000	1	125.8990	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,5a]C[5a,6]){1|B<4>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	127.3680	0.000	1	127.3680	0.000	1	127.3680	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	124.9140	0.000	1	124.9140	0.000	1	124.9140	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	125.7500	0.034	2	125.3707	0.432	3	125.3707	0.432	3	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	124.6120	0.000	1	125.3707	0.432	3	125.3707	0.432	3	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	125.0270	0.867	2	125.0270	0.752	2	126.7057	1.946	10	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.0800	0.737	3	126.0800	0.543	3	126.7057	1.946	10	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	126.9070	0.000	1	127.1397	0.234	3	126.7057	1.946	10	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	127.2560	0.622	2	127.1397	0.234	3	126.7057	1.946	10	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	128.8910	0.000	1	128.8910	0.000	1	126.7057	1.946	10	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>}	128.4530	0.000	1	128.4530	0.000	1	126.7057	1.946	10	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	130.0250	0.000	1	130.0250	0.000	1	127.9593	1.845	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	126.8370	0.000	1	127.6150	1.218	6	127.9593	1.845	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	126.6015	0.071	2	127.6150	1.218	6	127.9593	1.845	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	128.5500	0.634	3	127.6150	1.218	6	127.9593	1.845	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	128.9870	0.000	1	128.9870	0.000	1	128.9870	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|S<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.8433	0.499	4	126.8433	0.249	4	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.6589	0.239	8	126.6589	0.057	8	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.4230	0.645	2	126.8497	0.503	74	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.6239	0.453	61	126.8497	0.503	74	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	128.1800	0.331	11	126.8497	0.503	74	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.6130	0.267	2	127.7468	0.986	18	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.9180	0.501	6	127.7468	0.986	18	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.4708	0.624	10	127.7468	0.986	18	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.4310	0.000	1	126.4310	0.000	1	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[5]){1|Ir<6>,2|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	127.1490	0.000	1	127.1490	0.000	1	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	127.6370	0.000	1	127.6370	0.000	1	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	128.4395	0.870	2	128.4395	0.758	2	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.9442	0.323	5	127.0655	0.172	6	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	127.6720	0.000	1	127.0655	0.172	6	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	128.2265	0.156	2	128.2265	0.024	2	127.0420	0.662	117	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	125.7940	0.000	1	125.7940	0.000	1	125.7940	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N){4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	124.8540	0.000	1	124.8540	0.000	1	124.8540	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	127.2810	0.000	1	127.2810	0.000	1	127.9650	0.936	2	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	128.6490	0.000	1	128.6490	0.000	1	127.9650	0.936	2	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	128.9460	0.000	1	128.9460	0.000	1	128.9460	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	128.3980	0.000	1	128.3980	0.000	1	128.4038	13.347	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	130.5945	1.019	2	130.5945	1.038	2	128.4038	13.347	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Br)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){2|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Br){3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	125.0480	0.000	1	125.0480	0.000	1	128.4038	13.347	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N){3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	123.9525	0.064	2	123.9525	0.004	2	128.4038	13.347	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	132.3450	0.914	2	132.3450	0.835	2	128.4038	13.347	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	128.5460	0.000	1	128.5460	0.000	1	127.8510	1.601	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	128.1320	0.000	1	128.1320	0.000	1	127.8510	1.601	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	126.7637	0.351	3	126.7637	0.123	3	127.8510	1.601	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|I<1>,1|N<3>,3|C<3>}	127.8460	0.000	1	127.8460	0.000	1	127.8510	1.601	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C){3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.1420	0.000	1	130.1420	0.000	1	127.8510	1.601	7	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[6])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[6]){1|C<4>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.8940	0.000	1	129.8940	0.000	1	129.8940	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	126.7290	0.000	1	126.7290	0.000	1	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	127.4670	0.000	1	126.8030	0.882	2	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	126.1390	0.000	1	126.8030	0.882	2	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	126.9140	0.000	1	127.8650	1.809	2	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	128.8160	0.000	1	127.8650	1.809	2	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.0040	0.000	1	128.4470	0.726	9	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	127.6400	0.000	1	128.4470	0.726	9	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	128.0070	0.000	1	128.4470	0.726	9	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	127.3900	0.079	2	128.4470	0.726	9	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.1480	0.387	4	128.4470	0.726	9	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	128.2590	0.000	1	128.2590	0.000	1	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	129.2520	0.000	1	129.2520	0.000	1	128.0999	1.086	16	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	130.1040	0.000	1	130.0355	0.009	2	129.9811	0.819	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.9670	0.000	1	130.0355	0.009	2	129.9811	0.819	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|S<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.2460	0.000	1	129.6165	0.275	2	129.9811	0.819	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.9870	0.000	1	129.6165	0.275	2	129.9811	0.819	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	129.0285	0.177	2	130.1362	1.693	4	129.9811	0.819	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.2440	0.373	2	130.1362	1.693	4	129.9811	0.819	8	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	127.5885	0.194	2	127.5885	0.038	2	127.5885	0.038	2	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|F<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	126.7970	0.000	1	126.8350	0.003	2	126.8350	0.003	2	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	126.8730	0.000	1	126.8350	0.003	2	126.8350	0.003	2	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,2|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	126.2540	0.000	1	126.2540	0.000	1	126.2540	0.000	1	127.3245	1.977	192	127.4718	3.596	235	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.7480	0.041	2	131.7480	0.002	2	131.7480	0.002	2	131.7480	0.002	2	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:2:4:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C){1|C<4>,2|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){2|C<3>,2|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.7635	0.056	2	132.7635	0.003	2	132.7635	0.003	2	132.1050	1.302	3	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:2:4:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.7880	0.000	1	130.7880	0.000	1	130.7880	0.000	1	132.1050	1.302	3	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.4670	0.000	1	128.4670	0.000	1	128.3490	0.028	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	128.2310	0.000	1	128.2310	0.000	1	128.3490	0.028	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3350	0.000	1	128.9930	0.234	2	129.0821	0.207	15	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.6510	0.000	1	128.9930	0.234	2	129.0821	0.207	15	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.1680	0.000	1	128.7670	0.122	3	129.0821	0.207	15	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.5230	0.000	1	128.7670	0.122	3	129.0821	0.207	15	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.6100	0.000	1	128.7670	0.122	3	129.0821	0.207	15	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.1945	0.469	10	129.1945	0.220	10	129.0821	0.207	15	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.3460	0.000	1	130.3460	0.000	1	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	127.8010	0.000	1	127.8010	0.000	1	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.2780	0.000	1	128.5795	0.182	2	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	128.8810	0.000	1	128.5795	0.182	2	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	128.6270	0.000	1	128.6270	0.000	1	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6248	0.545	19	129.4365	0.351	26	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.0083	0.357	6	129.4365	0.351	26	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	128.4280	0.000	1	129.4365	0.351	26	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	129.3360	0.000	1	129.3360	0.000	1	129.3318	0.459	32	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.4770	0.000	1	129.6760	0.079	2	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.8750	0.000	1	129.6760	0.079	2	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	129.3030	0.000	1	129.3030	0.000	1	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	129.9590	0.000	1	130.2396	0.390	9	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2769	0.710	7	130.2396	0.390	9	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2590	0.000	1	130.2396	0.390	9	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3520	1.080	2	129.3750	0.585	3	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.4210	0.000	1	129.3750	0.585	3	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7745	0.071	2	129.4978	0.077	9	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5300	0.292	4	129.4978	0.077	9	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.2703	0.142	3	129.4978	0.077	9	129.7673	0.362	24	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.2760	0.000	1	130.2760	0.000	1	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	126.7760	0.000	1	126.7760	0.000	1	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.6720	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7350	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.8500	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	128.8850	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.6480	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.1730	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3920	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.4690	0.000	1	129.2280	0.591	8	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	128.7890	0.000	1	128.7890	0.000	1	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7632	0.463	6	129.6796	0.227	7	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.1780	0.000	1	129.6796	0.227	7	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.6755	0.469	4	129.6432	1.119	9	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.9957	0.116	3	129.6432	1.119	9	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.5500	0.594	2	129.6432	1.119	9	129.4152	0.915	27	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|F<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	127.7840	0.000	1	127.7840	0.000	1	127.7840	0.000	1	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	126.6160	0.000	1	126.6490	0.002	2	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.6820	0.000	1	126.6490	0.002	2	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	126.1370	0.000	1	126.2563	0.074	3	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.3160	0.356	2	126.2563	0.074	3	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.0903	0.105	3	126.0903	0.011	3	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	127.7600	0.000	1	128.5257	0.604	3	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	128.9085	0.573	2	128.5257	0.604	3	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	127.6398	0.743	5	127.6398	0.552	5	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	129.1800	0.000	1	127.8390	3.597	2	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	126.4980	0.000	1	127.8390	3.597	2	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	127.4505	0.237	2	127.4505	0.056	2	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	129.1700	0.000	1	129.1700	0.000	1	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	128.8430	0.587	2	128.4084	0.462	11	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.1090	0.000	1	128.4084	0.462	11	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5200	0.000	1	128.4084	0.462	11	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.0655	0.320	4	128.4084	0.462	11	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	128.4920	0.000	1	128.4084	0.462	11	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.7115	0.064	2	128.4084	0.462	11	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.8710	1.118	4	128.8710	1.251	4	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.1875	1.025	2	129.1875	1.050	2	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	128.9650	0.429	2	128.9650	0.184	2	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.9590	0.000	1	127.9590	0.000	1	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	127.7770	0.201	2	128.5993	0.766	15	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.8759	0.867	11	128.5993	0.766	15	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	127.9005	0.073	2	128.5993	0.766	15	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	128.9050	0.000	1	128.9050	0.000	1	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,4|C<3>}	132.4200	0.000	1	132.4200	0.000	1	128.2141	1.534	58	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|O<2>,3|C<3>}	130.5615	0.732	2	130.5615	0.536	2	130.5615	0.536	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.0190	0.075	2	127.0190	0.006	2	127.0190	0.006	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	127.9670	0.000	1	127.9670	0.000	1	129.1290	2.700	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|N<3>}	130.2910	0.000	1	130.2910	0.000	1	129.1290	2.700	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.2458	0.396	5	127.2743	0.130	6	127.1571	0.214	14	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.4170	0.000	1	127.2743	0.130	6	127.1571	0.214	14	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	127.0210	0.000	1	127.0210	0.000	1	127.1571	0.214	14	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.3347	0.169	3	127.2810	0.044	6	127.1571	0.214	14	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.0705	0.006	2	127.2810	0.044	6	127.1571	0.214	14	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.5410	0.000	1	127.2810	0.044	6	127.1571	0.214	14	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	125.8460	0.000	1	125.8460	0.000	1	127.1571	0.214	14	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	126.8910	0.000	1	126.7490	0.234	6	126.7490	0.234	6	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	126.0080	0.000	1	126.7490	0.234	6	126.7490	0.234	6	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	126.6770	0.000	1	126.7490	0.234	6	126.7490	0.234	6	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	126.9727	0.472	3	126.7490	0.234	6	126.7490	0.234	6	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|I<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I){1|C<4>,1|N<3>,3|C<3>}	126.4910	0.000	1	126.4910	0.000	1	126.4910	0.000	1	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	125.9560	0.021	2	125.9560	0.000	2	125.9560	0.000	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	130.0390	0.000	1	130.0390	0.000	1	130.0670	0.002	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.0950	0.000	1	130.0950	0.000	1	130.0670	0.002	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6]){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	131.1475	0.209	2	131.1475	0.044	2	131.1475	0.044	2	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	128.5448	1.402	6	128.5448	1.966	6	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	129.7300	0.000	1	129.7300	0.000	1	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.7404	0.632	7	129.7404	0.400	7	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	128.7180	0.252	2	128.7180	0.063	2	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	129.8280	0.000	1	129.8280	0.000	1	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.1560	0.000	1	129.3050	0.044	2	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.4540	0.000	1	129.3050	0.044	2	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	128.5730	0.000	1	128.5730	0.000	1	129.1814	0.974	20	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	126.6958	0.370	4	126.6958	0.137	4	126.6958	0.137	4	128.7488	1.669	216	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|N<3>,2|C<3>}	129.8395	0.508	2	129.8395	0.258	2	129.8395	0.258	2	128.7837	1.543	12	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|Cl<1>,1|N<3>,4|C<3>}	130.7600	0.000	1	130.7600	0.000	1	130.7600	0.000	1	128.7837	1.543	12	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<3>,3|C<3>}	127.7382	0.668	5	127.8002	0.380	6	127.8002	0.380	6	128.7837	1.543	12	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<3>,3|C<3>}	128.1100	0.000	1	127.8002	0.380	6	127.8002	0.380	6	128.7837	1.543	12	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN)	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN){2|N<2>,2|N<3>}	130.3540	0.000	1	130.3540	0.000	1	130.3540	0.000	1	128.7837	1.543	12	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	129.3430	0.000	1	129.3430	0.000	1	128.9055	0.383	2	128.7837	1.543	12	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<4>,3|C<3>}	128.4680	0.000	1	128.4680	0.000	1	128.9055	0.383	2	128.7837	1.543	12	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	129.2470	0.660	2	128.7660	0.455	4	128.7660	0.455	4	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<4>,4|C<3>}	128.2850	0.044	2	128.7660	0.455	4	128.7660	0.455	4	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<2>,2|H<1>,5|C<3>}	129.8090	0.000	1	129.8090	0.000	1	129.8550	0.004	2	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	129.9010	0.000	1	129.9010	0.000	1	129.8550	0.004	2	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,3|N<3>}	130.9100	0.000	1	130.9100	0.000	1	130.9100	0.000	1	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O){1|N<2>,3|C<3>}	131.0370	0.000	1	131.0370	0.000	1	131.6443	0.279	3	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	131.9480	0.069	2	131.9480	0.005	2	131.6443	0.279	3	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	127.8360	0.000	1	127.8360	0.000	1	127.8360	0.000	1	129.8594	2.146	11	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:4:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,3|C<3>}	129.0160	0.000	1	129.0160	0.000	1	127.7234	0.804	7	127.7234	0.804	7	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:4:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|C<4>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	127.2318	0.383	5	127.2318	0.147	5	127.7234	0.804	7	127.7234	0.804	7	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:4:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	128.8890	0.000	1	128.8890	0.000	1	127.7234	0.804	7	127.7234	0.804	7	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:2:3:	4:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[3,5a]-4:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H)	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H){1|H<2>,2|C<3>,2|H<1>}	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>}	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.8910	0.000	1	132.8910	0.000	1	132.8910	0.000	1	130.9885	1.749	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	129.9450	0.000	1	129.9450	0.000	1	129.9450	0.000	1	130.9885	1.749	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a]){1|Br<1>,1|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	128.7440	0.000	1	128.7440	0.000	1	128.7440	0.000	1	130.9885	1.749	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	130.9488	0.188	4	130.9488	0.035	4	130.9488	0.035	4	130.9885	1.749	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	132.5330	0.000	1	132.5330	0.000	1	132.5330	0.000	1	130.9885	1.749	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	131.4170	0.000	1	131.4170	0.000	1	131.4170	0.000	1	127.1236	10.365	9	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	125.2240	0.169	4	125.1518	0.049	6	125.1518	0.049	6	127.1236	10.365	9	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|H<1>,1|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	124.7850	0.000	1	125.1518	0.049	6	125.1518	0.049	6	127.1236	10.365	9	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.2300	0.000	1	125.1518	0.049	6	125.1518	0.049	6	127.1236	10.365	9	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	128.3910	0.000	1	128.3910	0.000	1	128.3910	0.000	1	127.1236	10.365	9	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	133.3930	0.000	1	133.3930	0.000	1	133.3930	0.000	1	127.1236	10.365	9	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	130.5490	0.000	1	130.5490	0.000	1	130.5490	0.000	1	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|N<2>}	127.6515	0.029	2	127.6515	0.001	2	127.6515	0.001	2	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	134.0470	0.000	1	134.0470	0.000	1	134.0470	0.000	1	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	129.5260	0.023	2	129.5260	0.001	2	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	130.9055	0.054	2	130.5542	0.181	4	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	130.3550	0.000	1	130.5542	0.181	4	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.0510	0.000	1	130.5542	0.181	4	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	131.6210	0.000	1	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.7432	0.572	153	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|N<3>}	130.5200	0.000	1	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.2990	0.106	2	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.6155	0.371	12	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.8293	0.222	4	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.3634	1.161	18	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.9520	0.000	1	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|I<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.2930	0.000	1	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.1654	0.893	44	130.6549	0.573	237	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.3465	0.488	11	125.3465	0.238	11	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|N<2>}	132.9300	0.328	4	132.9300	0.108	4	130.4535	1.795	258	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.2707	0.799	8	130.2707	0.638	8	130.2707	0.638	8	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O){1|C<3>,2|N<2>,2|N<3>}	129.0350	0.000	1	129.0350	0.000	1	129.0350	0.000	1	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){2|C<3>,2|N<2>,2|N<3>}	131.2670	0.000	1	131.2670	0.000	1	130.6725	0.214	8	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	130.8435	0.344	4	130.6707	0.161	6	130.6725	0.214	8	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	130.3250	0.303	2	130.6707	0.161	6	130.6725	0.214	8	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O){2|N<2>,2|N<3>}	130.0890	0.000	1	130.0890	0.000	1	130.6725	0.214	8	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a]){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	130.0075	0.667	2	130.0075	0.445	2	130.0075	0.445	2	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|Cl<1>,1|O<2>,2|C<3>}	127.9920	0.000	1	127.9920	0.000	1	127.9920	0.000	1	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	124.7290	0.457	2	124.7290	0.209	2	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	127.4285	0.282	2	126.0597	5.968	6	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|O<2>,2|C<3>}	123.8345	3.826	2	126.0597	5.968	6	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	126.9720	0.000	1	126.0597	5.968	6	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	126.8600	0.000	1	126.0597	5.968	6	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	129.4140	0.000	1	129.4140	0.000	1	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	129.3930	0.000	1	129.3930	0.000	1	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	129.8570	0.000	1	130.0960	0.044	3	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	130.1770	0.000	1	130.0960	0.044	3	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	130.2540	0.000	1	130.0960	0.044	3	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	129.0300	0.000	1	129.0300	0.000	1	127.4244	6.744	14	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|O<2>,4|C<3>}	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a]){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	126.0160	0.456	4	126.0160	0.208	4	125.9081	0.143	16	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|S<2>,5|C<3>}	125.7812	0.290	4	125.7812	0.084	4	125.9081	0.143	16	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	125.9175	0.406	8	125.9175	0.165	8	125.9081	0.143	16	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a]){1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O){1|C<3>,4|S<2>}	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl){1|C<3>,2|N<2>,2|S<2>}	125.8325	0.814	2	125.8325	0.662	2	125.8325	0.662	2	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a]){1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|S<2>}	119.4355	0.045	2	119.4355	0.002	2	119.4355	0.002	2	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	127.7610	0.000	1	127.7610	0.000	1	126.7969	0.875	15	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.4950	0.000	1	126.4950	0.000	1	126.7969	0.875	15	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	127.1988	0.961	4	127.3214	0.767	5	126.7969	0.875	15	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	127.8120	0.000	1	127.3214	0.767	5	126.7969	0.875	15	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	126.0337	0.349	6	126.0337	0.122	6	126.7969	0.875	15	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	126.4840	0.000	1	127.4440	1.843	2	126.7969	0.875	15	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Cl<1>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	128.4040	0.000	1	127.4440	1.843	2	126.7969	0.875	15	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H){1|C<3>,1|S<2>,2|N<2>}	125.0590	0.000	1	125.0590	0.000	1	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	126.6580	0.000	1	126.2290	0.368	2	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	125.8000	0.000	1	126.2290	0.368	2	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	125.8200	0.746	9	125.8200	0.556	9	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	126.4505	0.200	2	126.4505	0.040	2	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]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]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	126.2000	0.328	2	126.2000	0.108	2	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<2>,1|S<2>}	126.4961	0.478	10	126.4887	0.207	11	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.4150	0.000	1	126.4887	0.207	11	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.5387	0.309	3	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<2>,1|S<2>}	126.4250	0.000	1	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	127.4795	0.500	2	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	126.7343	0.255	3	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.7725	0.988	10	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	126.6195	0.094	2	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	127.0280	0.000	1	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	126.7757	0.156	3	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.4963	0.490	14	126.6787	0.386	39	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	126.3045	0.076	2	126.3045	0.006	2	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|S<2>,2|C<3>,2|N<2>}	128.0660	0.690	2	128.0660	0.476	2	126.5112	0.507	70	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|F<1>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.1260	0.000	1	126.1260	0.000	1	126.9195	0.536	4	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	127.1950	0.877	2	127.1840	0.385	3	126.9195	0.536	4	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	127.1620	0.000	1	127.1840	0.385	3	126.9195	0.536	4	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|S<2>,2|N<2>}	123.1990	0.000	1	122.9317	0.382	4	122.9317	0.382	4	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|O<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	123.2570	0.143	2	122.9317	0.382	4	122.9317	0.382	4	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|H<1>,1|O<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	122.0140	0.000	1	122.9317	0.382	4	122.9317	0.382	4	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	126.1214	0.560	21	126.1214	0.314	21	126.1214	0.314	21	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5,6a]C)(H)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5,6a]C)(H){1|C<3>,1|C<4>,2|N<2>}	132.1250	0.000	1	132.1250	0.000	1	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	130.9370	0.202	2	130.9370	0.041	2	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	131.0910	0.000	1	130.7322	0.095	4	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,2|C<3>}	130.7660	0.000	1	130.7322	0.095	4	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	130.5360	0.279	2	130.7322	0.095	4	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|N<2>,4|C<3>}	131.2100	0.000	1	131.2100	0.000	1	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|N<2>}	133.6190	0.000	1	133.6190	0.000	1	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	133.5900	0.000	1	132.3835	1.679	16	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,3|N<2>}	132.2891	1.347	14	132.3835	1.679	16	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	132.4990	0.000	1	132.3835	1.679	16	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	128.9160	0.322	3	128.5840	0.268	5	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	128.0860	0.199	2	128.5840	0.268	5	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){2|C<3>,2|N<2>}	132.2460	0.000	1	132.4423	0.030	3	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){2|C<3>,2|N<2>}	132.5405	0.046	2	132.4423	0.030	3	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,2|C<3>,3|N<2>}	133.6950	0.000	1	133.6950	0.000	1	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	134.6120	0.000	1	134.2330	0.326	3	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	134.5110	0.000	1	134.2330	0.326	3	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	133.5760	0.000	1	134.2330	0.326	3	131.7982	3.246	37	129.1943	6.369	470	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	130.0650	0.000	1	129.4917	0.345	3	129.8467	0.734	4	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	129.2050	0.444	2	129.4917	0.345	3	129.8467	0.734	4	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	130.9120	0.000	1	130.9120	0.000	1	129.8467	0.734	4	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a]){2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	124.7975	0.359	2	124.7975	0.129	2	127.2786	5.328	5	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	128.9327	0.576	3	128.9327	0.332	3	127.2786	5.328	5	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	126.9540	0.000	1	126.9540	0.000	1	126.9540	0.000	1	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	128.5250	0.849	2	128.5250	0.720	2	128.5250	0.720	2	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN){1|N<2>,2|C<3>,2|S<2>}	125.9130	1.435	2	125.9130	2.060	2	125.9130	2.060	2	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC){1|C<3>,2|N<2>,2|S<2>}	124.6275	0.131	2	124.6275	0.017	2	124.6275	0.017	2	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a]){1|Br<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	127.2670	0.000	1	127.2670	0.000	1	127.2670	0.000	1	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	125.4947	0.586	6	125.4947	0.344	6	125.4947	0.344	6	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.0340	0.954	4	125.6670	0.521	40	125.6941	0.453	50	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.0794	0.631	14	125.6670	0.521	40	125.6941	0.453	50	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.3668	0.530	5	125.6670	0.521	40	125.6941	0.453	50	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.9060	0.168	3	125.6670	0.521	40	125.6941	0.453	50	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.2058	0.601	14	125.6670	0.521	40	125.6941	0.453	50	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.8024	0.441	10	125.8024	0.195	10	125.6941	0.453	50	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.9203	0.804	3	124.9203	0.646	3	124.6672	0.351	6	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.6190	0.000	1	124.4140	0.039	3	124.6672	0.351	6	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.3115	0.121	2	124.4140	0.039	3	124.6672	0.351	6	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a]){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){2|C<3>,2|N<2>}	131.9990	0.163	2	131.9990	0.026	2	131.7555	2.404	4	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,2|N<2>,3|C<3>}	129.6480	0.000	1	129.6480	0.000	1	131.7555	2.404	4	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	133.3760	0.000	1	133.3760	0.000	1	131.7555	2.404	4	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,2|N<2>}	133.2690	0.716	2	133.2690	0.512	2	133.2690	0.512	2	126.4269	4.540	86	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	127.5490	0.626	2	127.5490	0.392	2	127.5490	0.392	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.1730	0.000	1	131.1730	0.000	1	131.1730	0.000	1	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	129.2720	0.000	1	129.2720	0.000	1	128.6416	1.906	5	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	129.0130	0.088	2	129.0130	0.008	2	128.6416	1.906	5	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	129.6870	0.000	1	129.6870	0.000	1	128.6416	1.906	5	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){2|C<3>,3|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	126.2230	0.000	1	126.2230	0.000	1	128.6416	1.906	5	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	131.1610	0.273	2	131.1610	0.074	2	129.9613	4.355	3	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	127.5620	0.000	1	127.5620	0.000	1	129.9613	4.355	3	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	129.4590	0.516	2	128.8500	1.246	3	128.8500	1.246	3	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	127.6320	0.000	1	128.8500	1.246	3	128.8500	1.246	3	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	129.0237	0.120	3	128.7820	0.243	4	130.6450	4.684	22	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	128.0570	0.000	1	128.7820	0.243	4	130.6450	4.684	22	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	126.8510	0.463	3	126.8510	0.215	3	130.6450	4.684	22	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	132.6370	0.000	1	131.9007	1.178	15	130.6450	4.684	22	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	131.5168	1.128	10	131.9007	1.178	15	130.6450	4.684	22	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	132.8645	0.340	2	131.9007	1.178	15	130.6450	4.684	22	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	132.4880	0.600	2	131.9007	1.178	15	130.6450	4.684	22	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	128.1500	0.000	1	128.1500	0.000	1	128.1500	0.000	1	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	128.3403	0.666	3	128.3403	0.443	3	128.3403	0.443	3	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a]){1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	124.8773	0.317	4	124.8773	0.100	4	124.8773	0.100	4	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a]){1|Se<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	125.7360	0.117	2	125.7360	0.014	2	125.7360	0.014	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC){1|C<3>,2|N<2>,2|S<2>}	123.1979	2.135	8	123.1979	4.557	8	123.1979	4.557	8	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|H<1>,2|N<2>,2|S<2>,3|C<3>}	124.2729	0.690	10	124.2729	0.476	10	124.2729	0.476	10	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	126.4880	0.047	3	126.4880	0.002	3	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	125.7770	0.000	1	125.7770	0.000	1	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	126.1850	0.000	1	125.8985	0.095	10	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	125.5110	0.000	1	125.8985	0.095	10	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,1|S<4>,3|C<3>}	125.4450	0.000	1	125.8985	0.095	10	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	125.9630	0.271	6	125.8985	0.095	10	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	126.0660	0.000	1	125.8985	0.095	10	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	124.6088	0.699	4	124.6088	0.488	4	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	126.5960	0.000	1	125.7970	0.259	14	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	125.6190	0.460	7	125.7970	0.259	14	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	125.9470	0.727	3	125.7970	0.259	14	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	125.7960	0.233	3	125.7970	0.259	14	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	125.6695	0.188	13	125.6695	0.036	13	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	126.0920	0.000	1	126.0920	0.000	1	125.7307	0.298	46	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,2|N<2>,4|C<3>}	125.2095	0.363	4	125.2095	0.131	4	125.2095	0.131	4	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a]){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|B<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	125.5630	0.211	2	125.5630	0.044	2	125.5630	0.044	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	124.4060	0.000	1	124.4060	0.000	1	125.5911	0.597	15	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.0780	0.000	1	126.0780	0.000	1	125.5911	0.597	15	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.6448	0.746	13	125.6448	0.557	13	125.5911	0.597	15	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2){2|C<4>,2|N<2>,2|S<2>,4|C<3>}	123.9235	0.200	2	123.9235	0.040	2	123.9235	0.040	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	127.1490	0.000	1	127.1490	0.000	1	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	126.0710	0.000	1	126.0710	0.000	1	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	126.3600	0.000	1	126.2207	0.291	66	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	126.2842	0.480	21	126.2207	0.291	66	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	126.8880	0.218	9	126.2207	0.291	66	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	125.8060	0.000	1	126.2207	0.291	66	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	125.9955	0.494	33	126.2207	0.291	66	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	126.5920	0.000	1	126.2207	0.291	66	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	127.5310	0.000	1	127.5310	0.000	1	126.2510	0.315	69	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO){1|C<3>,1|S<2>,2|N<2>}	128.3210	0.000	1	128.3210	0.000	1	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.6350	0.762	2	124.6350	0.581	2	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.8885	0.195	4	124.6614	0.286	5	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.7530	0.000	1	124.6614	0.286	5	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.0270	0.000	1	123.0270	0.000	1	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.0070	0.000	1	125.0070	0.000	1	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.0453	0.532	3	124.3077	0.620	8	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.8652	0.539	5	124.3077	0.620	8	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.1715	0.359	2	125.1715	0.129	2	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	129.3105	0.076	2	129.3802	0.011	4	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	129.4500	0.088	2	129.3802	0.011	4	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.1980	0.000	1	126.1980	0.000	1	125.4982	4.077	25	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|S<2>,2|O<1>,3|C<3>}	127.0180	0.000	1	127.0180	0.000	1	127.0180	0.000	1	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	125.7330	0.000	1	125.9910	0.133	2	125.9910	0.133	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	126.2490	0.000	1	125.9910	0.133	2	125.9910	0.133	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	126.8630	0.035	2	126.7613	0.017	6	126.7613	0.017	6	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	126.7105	0.135	4	126.7613	0.017	6	126.7613	0.017	6	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	125.4320	0.000	1	125.4320	0.000	1	125.4320	0.000	1	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a]C[6,6,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a]C[6,6,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	125.1580	0.117	2	125.1580	0.014	2	125.1580	0.014	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){2|N<2>,2|N<3>,3|C<3>}	133.0180	0.000	1	133.0180	0.000	1	133.0180	0.000	1	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO){2|C<3>,2|N<2>}	132.9990	0.000	1	132.9990	0.000	1	133.1805	0.066	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,2|N<2>}	133.3620	0.000	1	133.3620	0.000	1	133.1805	0.066	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	133.1960	0.000	1	133.1960	0.000	1	133.1960	0.000	1	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	132.1660	0.000	1	132.1660	0.000	1	131.7905	0.282	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){5|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	131.4150	0.000	1	131.4150	0.000	1	131.7905	0.282	2	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<4>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH){1|N<2>,5|C<3>}	127.1400	0.000	1	127.1400	0.000	1	132.1219	7.724	7	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|N<2>}	133.3560	0.000	1	133.3560	0.000	1	132.1219	7.724	7	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<3>,3|N<2>}	131.9490	0.243	4	131.9490	0.059	4	132.1219	7.724	7	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<3>,3|N<2>}	136.5610	0.000	1	136.5610	0.000	1	132.1219	7.724	7	126.6863	6.072	252	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]S[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(CC3){1|C<3>,3|S<2>}	123.2020	0.000	1	123.2020	0.000	1	125.2598	1.106	6	125.6762	4.616	19	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.6714	0.334	5	125.6714	0.112	5	125.2598	1.106	6	125.6762	4.616	19	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.4360	0.000	1	125.4360	0.000	1	125.4360	0.000	1	125.6762	4.616	19	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SiSiCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a]){1|Si<4>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Si<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SiSiCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.7962	0.488	10	124.7962	0.238	10	124.7962	0.238	10	125.6762	4.616	19	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN){2|C<3>,2|N<2>}	131.4160	0.000	1	131.4160	0.000	1	131.4455	0.002	2	125.6762	4.616	19	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO){2|C<3>,2|N<2>}	131.4750	0.000	1	131.4750	0.000	1	131.4455	0.002	2	125.6762	4.616	19	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Cl<1>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	134.5090	0.000	1	134.5090	0.000	1	134.5090	0.000	1	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	134.3162	0.595	20	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	134.8380	0.248	4	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	134.3460	0.349	8	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|S<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.7630	0.266	2	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|I<1>,1|N<2>,1|N<3>}	134.0610	0.000	1	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	134.8250	0.000	1	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	134.8675	0.149	2	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|Co<6>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	135.3270	0.000	1	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	133.9737	0.266	3	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	133.9610	0.000	1	134.3675	0.286	43	134.3675	0.286	43	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){2|C<3>,2|N<3>}	129.3440	0.000	1	129.3440	0.000	1	133.3920	3.390	7	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,2|N<3>}	134.0667	0.495	6	134.0667	0.245	6	133.3920	3.390	7	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|O<2>,3|C<3>}	127.4430	0.000	1	127.4430	0.000	1	124.6570	15.524	2	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|S<2>,3|C<3>}	121.8710	0.000	1	121.8710	0.000	1	124.6570	15.524	2	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.9920	0.000	1	131.9920	0.000	1	131.9920	0.000	1	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|N<2>,1|N<3>,2|C<3>}	127.6780	0.000	1	127.6780	0.000	1	127.6780	0.000	1	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	131.4830	0.165	2	131.4830	0.027	2	131.3063	0.107	3	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	130.9530	0.000	1	130.9530	0.000	1	131.3063	0.107	3	133.6027	5.052	58	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	132.1410	0.000	1	132.1410	0.000	1	132.9030	1.042	3	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH){1|C<3>,1|N<2>,2|N<3>}	132.5050	0.000	1	132.5050	0.000	1	132.9030	1.042	3	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN){1|C<3>,1|N<3>,2|N<2>}	134.0630	0.000	1	134.0630	0.000	1	132.9030	1.042	3	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC){1|N<3>,3|C<3>}	129.7270	0.000	1	129.7270	0.000	1	133.2308	5.872	4	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	134.7910	0.570	2	134.3987	0.624	3	133.2308	5.872	4	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|O<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.6140	0.000	1	134.3987	0.624	3	133.2308	5.872	4	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	134.2070	0.000	1	132.4665	1.391	8	132.6163	0.936	12	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,2|N<3>}	133.4150	0.000	1	132.4665	1.391	8	132.6163	0.936	12	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.2075	0.405	2	132.4665	1.391	8	132.6163	0.936	12	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.4238	0.256	4	132.4665	1.391	8	132.6163	0.936	12	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.9090	0.000	1	132.9493	0.003	3	132.6163	0.936	12	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|N<2>,2|N<3>}	132.9695	0.057	2	132.9493	0.003	3	132.6163	0.936	12	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.8150	0.000	1	132.8150	0.000	1	132.6163	0.936	12	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Br<1>,1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6]){1|Br<1>,1|C<4>,1|H<1>,2|N<2>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.9980	0.000	1	129.9980	0.000	1	129.9980	0.000	1	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC){1|N<2>,1|S<2>,2|C<3>}	132.1970	0.000	1	132.1970	0.000	1	132.1970	0.000	1	132.6296	1.939	21	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	131.9250	0.000	1	131.9250	0.000	1	131.9250	0.000	1	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC){1|N<3>,3|C<3>}	130.0890	0.000	1	130.0890	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<3>,3|C<3>}	130.3920	0.000	1	130.3920	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH){1|N<3>,3|C<3>}	128.5040	0.000	1	128.5040	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	128.7585	0.405	2	128.7585	0.164	2	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	130.1900	0.000	1	130.1900	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,2|C<3>}	126.3860	0.000	1	126.3860	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS){1|Cl<1>,1|N<3>,2|C<3>}	131.2730	0.255	2	131.2730	0.065	2	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.4740	0.187	2	131.4740	0.035	2	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.9690	0.000	1	133.9690	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.8070	0.000	1	131.5343	1.422	21	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.4216	1.198	19	131.5343	1.422	21	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.4030	0.000	1	131.5343	1.422	21	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	133.7460	0.000	1	133.7460	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	132.5410	0.000	1	132.6810	0.023	3	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	132.7510	0.129	2	132.6810	0.023	3	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]D)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|D<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]D){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	132.9260	0.000	1	132.9260	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.4800	0.000	1	133.9866	0.297	7	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	133.5940	0.000	1	133.9866	0.297	7	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	133.9095	0.192	2	133.9866	0.297	7	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	134.1290	0.000	1	133.9866	0.297	7	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	135.1080	0.000	1	133.9866	0.297	7	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.7760	0.000	1	133.9866	0.297	7	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.8907	0.459	8	132.9651	0.426	25	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,2|N<3>}	133.5750	0.000	1	132.9651	0.426	25	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	132.8774	0.552	7	132.9651	0.426	25	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.7505	0.319	8	132.9651	0.426	25	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	135.2800	0.000	1	132.9651	0.426	25	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|C<3>,1|N<2>,2|N<3>}	132.9890	0.263	2	132.6830	0.157	4	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	132.3770	0.161	2	132.6830	0.157	4	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.6300	0.921	2	132.6830	0.287	4	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	132.7360	0.047	2	132.6830	0.287	4	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.2687	0.738	56	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	133.3690	0.000	1	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	132.3250	0.336	3	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.6850	0.421	2	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.1412	0.575	11	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	132.9649	0.448	8	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Co<6>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.9165	0.292	2	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.1330	0.000	1	132.3333	0.502	84	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pt)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pt){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.5760	0.000	1	132.5760	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.9640	0.701	3	130.9640	0.492	3	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	134.5930	0.000	1	134.5930	0.000	1	132.2697	1.424	167	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	131.1800	0.000	1	131.1800	0.000	1	131.1800	0.000	1	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	132.8100	0.000	1	132.8100	0.000	1	132.8100	0.000	1	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,5|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	129.2960	0.000	1	129.2960	0.000	1	129.2960	0.000	1	132.2470	1.452	171	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.0000	0.000	1	132.0000	0.000	1	132.0000	0.000	1	131.8562	2.622	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[3]-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H){1|O<2>,3|C<3>,4|H<1>}	130.6520	0.000	1	130.6520	0.000	1	130.6520	0.000	1	131.8562	2.622	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:P-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|P<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.4965	0.194	2	133.6713	0.111	3	133.6713	0.111	3	131.8562	2.622	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:P-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|P<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	134.0210	0.000	1	133.6713	0.111	3	133.6713	0.111	3	131.8562	2.622	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	130.1460	0.000	1	130.1460	0.000	1	130.3947	0.183	3	131.8562	2.622	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|H<1>,3|C<3>}	130.5190	0.523	2	130.5190	0.274	2	130.3947	0.183	3	131.8562	2.622	8	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.6230	0.099	2	132.6230	0.010	2	132.8583	0.171	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	133.3290	0.000	1	133.3290	0.000	1	132.8583	0.171	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.6765	0.496	2	131.6765	0.246	2	131.6765	0.246	2	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6]){1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	128.7950	0.000	1	128.7950	0.000	1	128.7950	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|N<3>,2|C<3>}	131.6890	0.000	1	131.6890	0.000	1	131.6890	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6]){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	130.0180	0.000	1	130.0180	0.000	1	130.0180	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|Co<4>,2|N<3>,3|C<3>}	130.3200	0.888	2	130.3200	0.789	2	127.8548	7.854	6	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	128.4770	0.000	1	128.4770	0.000	1	127.8548	7.854	6	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|O<2>}	129.2350	0.000	1	129.2350	0.000	1	127.8548	7.854	6	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	124.3885	0.076	2	124.3885	0.006	2	127.8548	7.854	6	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl){1|N<2>,1|O<2>,3|C<3>}	129.9590	0.000	1	129.9590	0.000	1	129.9590	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.4640	0.000	1	128.4975	0.002	2	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.5310	0.000	1	128.4975	0.002	2	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|Ru<6>,1|N<2>,1|N<3>,3|C<3>}	129.6380	0.000	1	129.6380	0.000	1	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.5770	0.000	1	128.5770	0.000	1	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|O<2>,3|C<3>}	130.6300	0.092	2	130.6300	0.008	2	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	128.8580	0.000	1	129.4310	0.657	2	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	130.0040	0.000	1	129.4310	0.657	2	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	130.4990	0.000	1	130.4990	0.000	1	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	124.5120	0.000	1	124.5120	0.000	1	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	124.1480	0.000	1	124.1480	0.000	1	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	124.1653	0.617	3	124.1792	0.255	4	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	124.2210	0.000	1	124.1792	0.255	4	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	124.5720	0.000	1	124.5720	0.000	1	127.2362	7.795	16	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){2|N<3>,3|C<3>}	131.1070	0.000	1	131.1070	0.000	1	128.3347	14.205	4	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|O<2>,3|C<3>}	132.0560	0.000	1	132.0560	0.000	1	128.3347	14.205	4	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|S<2>,3|C<3>}	125.0880	0.000	2	125.0880	0.000	2	128.3347	14.205	4	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<2>,1|N<3>,3|C<3>}	129.3070	0.000	1	129.3070	0.000	1	130.5122	1.025	5	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	129.7950	0.000	1	129.7950	0.000	1	130.5122	1.025	5	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	130.8020	0.400	2	130.8020	0.160	2	130.5122	1.025	5	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	131.8550	0.000	1	131.8550	0.000	1	130.5122	1.025	5	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Br<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,2|C<3>}	129.9737	0.584	4	129.9737	0.341	4	130.9194	1.312	8	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	131.0950	0.000	1	131.6630	0.260	3	130.9194	1.312	8	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	131.9470	0.188	2	131.6630	0.260	3	130.9194	1.312	8	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|Br<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|C<3>,2|O<2>}	132.4710	0.000	1	132.4710	0.000	1	130.9194	1.312	8	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	128.5260	0.000	1	129.9730	1.015	4	128.4113	4.318	7	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	130.4553	0.355	3	129.9730	1.015	4	128.4113	4.318	7	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,2|C<3>}	126.3290	0.227	3	126.3290	0.051	3	128.4113	4.318	7	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<4>,2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	130.5080	0.000	1	130.5080	0.000	1	130.0784	0.469	8	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|F<1>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	129.6090	0.004	5	129.6090	0.000	5	130.0784	0.469	8	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<3>,2|F<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	131.0370	0.400	2	131.0370	0.160	2	130.0784	0.469	8	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	122.8190	0.058	2	122.8190	0.003	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	123.8890	0.000	1	123.8890	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	129.6983	0.226	4	130.3981	0.748	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Co<5>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	131.0810	0.000	1	130.3981	0.748	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Co<6>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	131.8180	1.179	2	130.3981	0.748	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	130.7990	0.000	1	130.3981	0.748	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	130.1732	0.374	5	130.3981	0.748	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	129.2000	0.000	1	129.2000	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){2|C<3>,2|N<3>}	129.8540	0.348	2	129.4990	0.439	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){2|C<3>,2|N<3>}	128.7890	0.000	1	129.4990	0.439	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	129.1520	0.000	1	129.1520	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	129.9760	0.000	1	129.9760	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	130.0590	0.000	1	130.0590	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	124.5855	0.070	2	124.5855	0.005	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.1853	0.479	3	129.3168	0.222	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.7110	0.000	1	129.3168	0.222	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.8830	0.599	4	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2470	0.000	1	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.0590	0.510	4	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.3495	1.059	2	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	129.9030	0.000	1	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2520	0.165	2	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.4240	0.000	1	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6864	0.456	7	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	130.9220	0.000	1	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7940	0.000	1	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0020	0.000	1	129.8027	0.385	25	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	129.5940	0.000	1	129.5940	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.6355	0.635	21	129.7842	0.361	35	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.2477	0.196	3	129.7842	0.361	35	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	130.1430	0.352	2	129.7842	0.361	35	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.8380	0.000	1	129.7842	0.361	35	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.7794	0.466	8	129.7842	0.361	35	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	129.4060	0.000	1	129.4060	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|C<3>,2|N<3>}	129.8090	0.000	1	129.8090	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Al<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.9220	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0426	0.746	21	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5355	0.145	2	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>}	129.5465	0.121	2	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.8923	0.520	69	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Cu<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.2040	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3450	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3450	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.5890	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<5>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Zn<5>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.2540	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.3504	2.384	20	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.4187	0.537	94	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	130.2150	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	130.3980	0.003	2	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6395	0.101	2	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	129.7380	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.8994	0.477	45	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	130.2560	0.000	1	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.4603	0.610	4	130.1491	0.784	270	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	129.7580	0.000	1	129.7580	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	129.6730	0.000	1	129.6730	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.0270	0.000	1	129.0270	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	129.9940	0.000	1	130.3735	0.647	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	131.0230	1.011	2	130.3735	0.647	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<5>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	131.7390	0.000	1	130.3735	0.647	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.7355	0.127	2	130.3735	0.647	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.7355	0.402	4	130.3735	0.647	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.9160	0.000	1	130.3735	0.647	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	130.2010	0.000	1	130.2010	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ag<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.2380	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Au<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.7540	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|P<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.4708	0.487	6	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	129.1930	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	130.8470	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.5175	0.859	104	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2728	0.533	53	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0702	0.484	8	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	129.7400	0.499	2	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.9437	0.831	6	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	131.3730	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	129.5350	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Co<5>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.6028	1.196	4	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.4305	0.227	2	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<5>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.3406	0.960	5	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Fe<5>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.0970	0.553	3	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Fe<6>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.2470	0.434	3	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6625	0.110	2	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7835	0.631	2	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<6>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.9490	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<6>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.2790	0.000	1	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0342	0.367	9	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7637	0.330	3	130.4840	0.839	220	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	129.6955	0.073	2	129.1420	2.300	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	130.2720	0.000	1	129.1420	2.300	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	126.9050	0.000	1	129.1420	2.300	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	130.1495	0.475	4	130.1292	0.171	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	130.0480	0.000	1	130.1292	0.171	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0000	0.000	1	130.0000	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0417	0.346	3	130.0417	0.119	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.8070	0.000	1	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0360	0.000	1	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.9780	0.000	1	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6790	0.000	1	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Co<6>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5030	0.000	1	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Ru<6>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.4127	0.372	3	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3330	0.000	1	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7760	0.001	2	130.1933	0.679	11	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.1700	0.000	1	129.4235	0.129	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	129.6770	0.000	1	129.4235	0.129	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Al<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2195	0.424	2	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<5>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Al<5>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.1570	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5530	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.4200	0.313	4	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5750	0.594	2	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5157	0.583	6	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.1030	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.4970	1.640	3	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0320	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6840	0.472	3	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.5833	1.128	3	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Os<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0450	0.221	2	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Re<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.3250	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.8007	0.148	4	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<5>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2315	0.712	2	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.9050	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.5060	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7510	0.000	1	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.1670	0.633	5	130.0813	0.578	44	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	129.1450	0.000	1	129.1450	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5808	0.389	5	129.5808	0.151	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.5260	0.000	1	130.2028	1.332	19	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.9577	0.717	6	130.2028	1.332	19	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	129.9827	0.765	9	130.2028	1.332	19	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<3>,3|C<3>}	131.8280	0.000	1	130.2028	1.332	19	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	127.9545	0.084	2	130.2028	1.332	19	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	129.6010	0.000	1	129.6010	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|F<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>}	132.3510	0.000	1	132.3510	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Au<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	134.2150	0.000	1	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|B<6>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.0140	0.000	1	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.1997	0.504	78	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	131.1220	0.000	1	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	129.5892	0.567	4	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5523	0.315	4	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.9970	2.179	12	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6405	0.494	30	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	129.2730	0.000	1	130.1284	0.907	132	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	130.1450	0.466	3	129.7825	1.082	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	127.7680	0.000	1	129.7825	1.082	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	130.2460	0.303	2	129.7825	1.082	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0290	0.000	1	130.0290	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.3063	0.672	3	130.1206	0.234	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.9812	0.327	4	130.1206	0.234	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.1560	0.243	2	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.9400	0.240	3	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	129.2140	0.000	1	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.2690	0.000	1	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.5362	0.452	6	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.6230	0.000	1	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	128.8570	0.000	1	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.4465	0.011	2	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.8860	0.360	29	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	130.6477	0.762	3	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	130.5610	0.000	1	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|Cu<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.6085	0.067	2	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|Fe<6>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.0910	0.000	1	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7280	1.208	3	130.0338	0.497	56	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.5816	0.476	8	129.7014	0.190	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	130.0040	0.000	1	129.7014	0.190	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.9830	0.000	1	129.7014	0.190	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.7060	0.000	1	129.7014	0.190	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.2980	0.000	1	129.7014	0.190	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Ru<9>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.4740	0.000	1	129.7014	0.190	13	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.7720	0.399	2	129.7720	0.159	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.5020	0.000	1	130.5020	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.5873	0.880	6	128.5873	0.774	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.6680	0.000	1	129.6680	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<8>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.9890	0.000	1	128.9890	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.1521	1.506	9	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	129.3125	0.056	2	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	130.6480	0.000	1	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.1613	0.402	13	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	130.1310	0.000	1	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3820	0.397	2	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	129.8360	0.000	2	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|Cu<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.5890	0.000	1	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.5290	0.000	1	130.0445	1.153	32	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	128.7590	0.000	1	128.7590	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.6360	1.839	6	131.6360	3.381	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.0640	0.186	6	129.0640	0.035	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]O[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.0240	0.000	1	131.0240	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]O[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	131.5620	0.000	1	131.5620	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	131.0740	0.356	2	131.0740	0.127	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	130.6915	0.388	2	130.8440	0.145	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.1490	0.000	1	130.8440	0.145	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|O<2>,4|C<3>}	131.6325	0.077	2	131.6325	0.006	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	130.5375	0.537	2	130.3642	0.136	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	130.1850	0.000	1	130.3642	0.136	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	130.1970	0.000	1	130.3642	0.136	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	131.7455	0.053	2	131.7455	0.003	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.8180	0.000	1	131.5297	0.406	40	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.7516	0.423	5	131.5297	0.406	40	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>}	131.6020	0.000	1	131.5297	0.406	40	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.4636	0.651	29	131.5297	0.406	40	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	132.2040	1.137	2	131.5297	0.406	40	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	131.0790	0.420	2	131.5297	0.406	40	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.4520	0.000	1	131.4520	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	130.0090	0.235	3	130.4832	0.354	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	130.9573	0.393	3	130.4832	0.354	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	130.7520	0.276	3	130.7520	0.076	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	130.6793	0.988	3	131.2120	0.457	28	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	130.9815	0.429	2	131.2120	0.457	28	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	132.0240	0.000	1	131.2120	0.457	28	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	130.5450	0.000	1	131.2120	0.457	28	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.3031	0.631	21	131.2120	0.457	28	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	130.7113	0.339	3	130.7113	0.115	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.0673	0.454	6	131.0673	0.206	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	131.3920	0.000	1	131.3920	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	130.4170	0.542	2	130.9577	0.412	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.2280	0.545	4	130.9577	0.412	6	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.1540	0.000	1	131.1540	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<3>,2|O<2>}	130.4705	1.059	2	130.4705	1.121	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	131.0450	0.000	1	131.0450	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.1425	0.148	2	131.1425	0.022	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	130.2850	0.000	1	130.2850	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	131.4980	0.000	1	131.4980	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	130.5940	0.000	1	130.5940	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>}	131.5920	0.000	1	131.3719	0.629	12	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	131.3519	0.829	11	131.3719	0.629	12	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.9310	0.000	1	125.1522	0.182	24	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.4880	0.706	2	125.1522	0.182	24	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	126.1580	0.000	1	125.1522	0.182	24	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.1167	0.244	4	125.1522	0.182	24	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.0978	0.549	5	125.1522	0.182	24	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	125.4020	0.000	1	125.1522	0.182	24	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.0229	0.291	10	125.1522	0.182	24	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,2|C<3>}	124.6580	0.000	1	124.6018	0.062	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,2|C<3>}	124.5877	0.285	4	124.6018	0.062	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.2534	0.453	8	125.2472	0.371	139	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	125.9480	0.000	1	125.2472	0.371	139	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	125.2920	0.177	2	125.2472	0.371	139	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.2295	0.625	123	125.2472	0.371	139	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	125.7623	0.334	3	125.2472	0.371	139	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	124.6430	0.000	1	125.2472	0.371	139	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	125.6480	0.000	1	125.2472	0.371	139	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<3>,1|S<2>,2|C<3>}	124.9470	0.000	1	124.9470	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	124.9500	0.000	1	125.0085	0.007	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.0670	0.000	1	125.0085	0.007	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	124.6710	0.000	1	125.2210	0.211	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.4043	0.338	3	125.2210	0.211	4	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.5050	0.000	1	125.0640	1.070	74	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.1937	0.503	41	125.0640	1.070	74	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|S<2>,2|C<3>}	125.3400	0.000	1	125.0640	1.070	74	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	125.1215	0.600	2	125.0640	1.070	74	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.8521	1.528	29	125.0640	1.070	74	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	126.2510	0.000	1	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.0540	0.000	1	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	125.5560	0.000	1	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.3945	0.571	2	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	126.2760	0.390	2	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	125.1390	0.000	1	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	125.5400	0.454	6	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.6300	0.252	2	125.3651	0.490	16	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6]){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.5820	0.000	1	125.8110	0.209	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.9255	0.583	2	125.8110	0.209	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.6480	0.000	1	125.5452	0.077	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	125.4587	0.355	3	125.5452	0.077	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	125.7020	0.000	1	125.5452	0.077	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,2|C<3>}	125.0690	0.000	1	125.0690	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|F<1>,1|S<2>,2|C<3>}	124.4060	0.000	1	124.4060	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	126.0295	1.445	2	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.1540	0.576	19	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	125.3722	0.910	4	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	124.9950	0.000	1	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	122.0460	0.000	1	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	125.6081	0.290	7	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	125.1207	0.310	7	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	125.5138	0.335	5	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.3246	0.677	51	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	125.0330	0.154	3	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	125.6508	0.482	19	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	124.9023	0.238	3	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	125.2798	0.299	4	125.3256	0.447	126	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	124.6773	0.513	3	124.6773	0.263	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	124.9860	0.000	1	125.0070	0.190	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.2050	0.000	1	125.0070	0.190	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	125.6050	0.000	1	125.0070	0.190	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.0445	0.217	2	125.0070	0.190	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	124.1730	0.000	1	125.0070	0.190	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	124.9910	0.000	1	125.0070	0.190	7	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.9975	0.571	2	125.5500	0.156	10	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	125.6150	0.109	2	125.5500	0.156	10	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.3792	0.310	6	125.5500	0.156	10	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.7242	0.784	5	124.7242	0.614	5	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.1530	0.000	1	125.1009	0.540	10	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.1245	0.156	2	125.1009	0.540	10	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.0867	0.897	7	125.1009	0.540	10	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.4830	0.676	2	125.1483	0.317	53	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	124.9510	0.000	1	125.1483	0.317	53	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.1075	0.604	40	125.1483	0.317	53	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.2642	0.380	10	125.1483	0.317	53	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.7640	0.000	1	131.7640	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.9826	0.468	10	132.1804	0.279	14	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.6747	0.314	4	132.1804	0.279	14	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	133.2630	0.000	1	132.7880	0.451	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.3130	0.000	1	132.7880	0.451	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.5080	0.000	1	132.5080	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.7520	0.000	1	132.7520	0.000	1	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	132.5663	0.737	3	132.5663	0.544	3	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	126.9140	0.000	1	127.6795	1.172	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|S<2>}	128.4450	0.000	1	127.6795	1.172	2	128.7446	6.418	1608	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I){1|H<1>,1|S<2>,2|C<3>}	125.2565	1.033	2	125.2565	1.067	2	125.2565	1.067	2	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	130.2160	0.000	1	130.2160	0.000	1	130.2160	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	128.6100	0.000	1	128.6100	0.000	1	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|S<2>,4|C<3>}	123.4350	0.000	1	123.4350	0.000	1	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|S<2>,2|C<3>}	125.1540	0.000	1	125.1540	0.000	1	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	129.8870	0.000	1	129.8870	0.000	1	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	128.4470	0.000	1	128.6860	0.114	2	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	128.9250	0.000	1	128.6860	0.114	2	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.1530	0.504	10	130.1511	0.780	43	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	130.1623	1.007	31	130.1511	0.780	43	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	129.8870	0.000	1	130.1511	0.780	43	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.0490	0.000	1	130.1511	0.780	43	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]Pt)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]Pt)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.1280	0.000	1	130.1280	0.000	1	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	129.4770	0.000	1	129.4770	0.000	1	129.8149	2.088	51	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:S-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,1|N<3>,1|S<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S){1|C<3>,1|H<1>,2|N<2>}	131.2820	0.000	1	131.2820	0.000	1	131.2820	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	130.5740	0.000	1	130.5740	0.000	1	130.5740	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	132.5820	0.000	1	132.5820	0.000	1	132.5820	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]){1|B<4>,2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B){1|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	128.8567	0.440	3	128.8567	0.194	3	128.8567	0.194	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	128.7590	1.101	6	128.7590	1.212	6	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	127.9750	0.000	1	127.9750	0.000	1	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.9810	0.000	1	127.6384	0.265	15	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	126.9720	0.000	1	127.6384	0.265	15	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	126.8350	0.000	1	127.6384	0.265	15	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.6335	0.419	10	127.6384	0.265	15	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.8920	0.000	1	127.6384	0.265	15	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	128.5610	0.000	1	127.6384	0.265	15	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	127.2133	0.308	6	127.2716	0.115	8	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	127.7990	0.000	1	127.2716	0.115	8	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	127.0940	0.000	1	127.2716	0.115	8	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.6830	0.474	2	127.6553	0.115	3	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.6000	0.000	1	127.6553	0.115	3	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	126.3940	0.000	1	127.0505	0.862	2	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	127.7070	0.000	1	127.0505	0.862	2	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>}	127.6740	0.000	1	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	127.5740	0.000	1	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	126.9460	0.000	1	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	126.1130	0.000	1	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.3420	0.000	1	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Se<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	127.7680	0.000	1	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.2801	0.277	10	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.6290	0.382	6	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	127.2780	0.267	5	127.3475	0.164	27	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<3>,4|C<3>}	128.7740	0.728	2	128.7740	0.530	2	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	127.6550	0.000	1	127.3500	0.522	3	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	127.8700	0.000	1	127.3500	0.522	3	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>}	126.5250	0.000	1	127.3500	0.522	3	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Os)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Os<9>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Os){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	128.0310	0.000	1	128.0310	0.000	1	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Ru<6>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.7180	0.000	1	130.7180	0.000	1	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,1|S<4>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	128.5250	0.000	1	128.5250	0.000	1	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.2856	0.839	57	130.2962	0.698	58	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|N<3>}	130.8980	0.000	1	130.2962	0.698	58	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.4180	0.000	1	129.4180	0.000	1	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.3172	0.660	22	130.2273	0.547	38	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.1036	0.843	16	130.2273	0.547	38	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	132.5940	0.000	1	132.5940	0.000	1	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.7780	0.170	2	129.7780	0.029	2	129.1940	2.322	170	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<3>,1|O<2>,2|C<3>}	128.9660	0.000	1	128.9660	0.000	1	128.9660	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|N<3>,4|C<3>}	122.7495	0.706	2	122.7495	0.499	2	127.7997	15.509	6	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Cu)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Cu<5>,1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Cu){1|O<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	130.2095	0.165	2	130.2095	0.027	2	127.7997	15.509	6	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ni)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Ni<6>,1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ni){1|O<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	130.4400	0.673	2	130.4400	0.453	2	127.7997	15.509	6	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	N[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,2|C<3>,5|B<6>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.1580	0.269	2	125.1580	0.072	2	125.1253	0.039	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a]C[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	N[5a](C[5a]C[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	125.0600	0.000	1	125.0600	0.000	1	125.1253	0.039	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	132.6160	0.000	1	132.6160	0.000	1	132.6160	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	131.6010	0.000	1	131.6010	0.000	1	131.6010	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,3|C<3>}	131.7160	0.000	1	131.7160	0.000	1	131.7160	0.000	1	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.5210	0.000	1	129.7237	0.477	3	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.3250	0.000	2	129.7237	0.477	3	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	131.0105	0.986	2	131.0105	0.973	2	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.2330	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	131.3030	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	131.9910	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	131.5660	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.9680	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	131.0910	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.5807	0.086	3	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.9300	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.4410	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.3398	0.588	5	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	129.7490	0.000	1	130.5125	0.591	17	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	130.7400	0.000	1	130.8730	0.422	5	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	130.5070	0.000	1	130.8730	0.422	5	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	131.5880	0.000	1	130.8730	0.422	5	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	131.4730	0.000	1	130.8730	0.422	5	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	130.0570	0.000	1	130.8730	0.422	5	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	130.0400	0.000	1	130.0400	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.0420	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.2610	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	130.3070	0.042	2	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.9500	0.133	3	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.9540	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	131.0450	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.7842	1.265	4	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.4246	0.478	10	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	130.9253	0.345	3	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.4967	0.345	6	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	130.2190	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.5320	0.018	2	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.2260	0.236	6	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	131.0875	0.631	2	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,3|C<3>}	131.3317	0.148	3	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	131.4680	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	131.1761	0.442	8	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	131.4825	0.291	2	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	131.7283	0.534	4	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.7289	0.526	8	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	129.9960	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.4130	0.000	1	130.5170	0.631	71	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	129.7400	0.000	1	129.7400	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.9070	0.000	1	130.8765	0.357	8	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	131.5045	0.561	2	130.8765	0.357	8	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	130.7680	0.000	1	130.8765	0.357	8	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.5820	0.588	4	130.8765	0.357	8	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){3|C<3>}	131.8520	0.000	1	131.8520	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	128.2175	1.194	4	128.2175	1.427	4	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	130.0260	0.000	1	130.0260	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.0720	0.000	1	130.0720	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Se)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Se){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.0180	0.000	1	130.0180	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	132.1180	0.000	1	132.0240	0.033	3	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	131.8150	0.000	1	132.0240	0.033	3	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	132.1390	0.000	1	132.0240	0.033	3	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	131.1630	0.000	1	131.1630	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	128.6870	0.270	4	129.7306	1.293	8	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	130.7742	0.202	4	129.7306	1.293	8	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	132.9340	0.000	1	133.2200	0.164	2	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,2|C<3>}	133.5060	0.000	1	133.2200	0.164	2	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	131.1857	0.151	4	131.1857	0.023	4	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	131.4013	0.225	4	131.4013	0.051	4	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	131.4360	0.000	1	131.4360	0.000	1	130.5461	0.974	139	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.7620	0.000	1	130.7620	0.000	1	130.7773	0.007	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	130.7850	0.113	2	130.7850	0.013	2	130.7773	0.007	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0127	0.325	3	130.0127	0.106	3	130.0127	0.106	3	128.9461	5.861	2059	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a]){1|C<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|N<2>,1|O<2>,3|C<3>}	128.5175	1.003	2	128.5175	1.007	2	128.5175	1.007	2	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	133.3427	0.203	3	133.3740	0.031	4	133.2607	0.050	6	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	133.4680	0.000	1	133.3740	0.031	4	133.2607	0.050	6	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	133.0340	0.040	2	133.0340	0.002	2	133.2607	0.050	6	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN){1|H<1>,1|S<2>,2|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.2480	0.000	1	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,2|H<1>,5|C<3>}	128.4250	0.000	1	128.4250	0.000	1	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	133.6450	0.000	1	133.6450	0.000	1	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	133.3160	0.000	1	133.4990	0.067	2	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	133.6820	0.000	1	133.4990	0.067	2	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	133.9080	0.074	3	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	133.6610	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	132.8590	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	134.0570	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	132.3960	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	132.1400	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|I<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	132.4760	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	134.1270	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	133.5970	0.475	5	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	134.0850	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	132.4870	0.000	1	133.4116	0.497	17	133.1936	1.598	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|H<1>,1|N<3>,4|C<3>}	129.6970	0.000	1	129.6970	0.000	1	127.3614	4.970	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,2|C<3>}	128.9570	0.000	1	128.9570	0.000	1	127.3614	4.970	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP){1|H<1>,1|O<2>,2|C<3>}	131.7860	0.000	1	131.7860	0.000	1	127.3614	4.970	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>}	132.1965	1.083	2	132.1965	1.172	2	127.3614	4.970	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,2|C<3>}	126.2348	0.488	16	126.2348	0.239	16	127.3614	4.970	21	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	135.1910	0.236	2	135.1910	0.056	2	134.4944	0.450	9	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	134.0730	0.000	1	134.3913	0.382	6	134.4944	0.450	9	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	133.6000	0.000	1	134.3913	0.382	6	134.4944	0.450	9	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	134.6020	0.000	1	134.3913	0.382	6	134.4944	0.450	9	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>,3|N<2>}	134.3150	0.141	2	134.3913	0.382	6	134.4944	0.450	9	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	135.4430	0.000	1	134.3913	0.382	6	134.4944	0.450	9	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	133.7200	0.000	1	133.7200	0.000	1	134.4944	0.450	9	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,2|C<3>}	128.2700	0.229	2	128.2700	0.052	2	128.2700	0.052	2	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	129.3680	0.000	1	129.3680	0.000	1	132.0012	1.297	8	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	132.1170	0.665	2	132.1170	0.442	2	132.0012	1.297	8	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	132.3980	0.287	3	132.3980	0.082	3	132.0012	1.297	8	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|C<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	132.6070	0.550	2	132.6070	0.303	2	132.0012	1.297	8	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	132.5250	0.209	2	132.5250	0.044	2	132.5250	0.044	2	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|O<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	129.2070	0.000	1	129.2070	0.000	1	130.4220	1.114	3	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC){1|N<2>,2|C<3>}	131.0295	0.115	2	131.0295	0.013	2	130.4220	1.114	3	131.0776	10.376	75	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a]){1|N<2>,1|S<2>,5|C<3>}	123.0290	0.000	1	123.0290	0.000	1	123.0290	0.000	1	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,2|S<2>,4|C<3>}	126.2935	0.609	2	126.2935	0.371	2	126.2935	0.371	2	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	128.7050	0.000	1	129.3015	0.712	2	129.3015	0.712	2	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	129.8980	0.000	1	129.3015	0.712	2	129.3015	0.712	2	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,2|C<3>}	131.0070	0.373	2	131.0070	0.139	2	129.4266	8.657	8	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO){1|H<1>,1|O<2>,4|C<3>}	129.8905	0.394	2	129.8905	0.155	2	129.4266	8.657	8	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	131.9555	0.276	2	131.9555	0.076	2	129.4266	8.657	8	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,2|C<3>}	124.8535	0.432	2	124.8535	0.187	2	129.4266	8.657	8	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	129.9778	1.076	4	129.7380	0.633	8	128.6892	4.718	13	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<4>,4|C<3>}	129.4983	0.408	4	129.7380	0.633	8	128.6892	4.718	13	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	128.9380	0.387	3	128.9380	0.150	3	128.6892	4.718	13	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	123.3610	0.000	1	123.3610	0.000	1	128.6892	4.718	13	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,2|F<1>,4|C<3>}	124.8810	0.000	1	124.8810	0.000	1	128.6892	4.718	13	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	129.0555	0.255	2	129.0555	0.065	2	130.4736	3.174	12	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	129.2465	1.122	2	129.5285	0.530	4	130.4736	3.174	12	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	129.8105	0.114	2	129.5285	0.530	4	130.4736	3.174	12	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<2>,2|C<3>}	133.2905	0.114	2	133.2905	0.013	2	130.4736	3.174	12	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	130.1995	0.036	2	130.1995	0.001	2	130.4736	3.174	12	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	129.1820	0.000	1	129.1820	0.000	1	130.4736	3.174	12	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.2960	0.000	1	133.2960	0.000	1	130.4736	3.174	12	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	129.8940	0.000	1	129.8940	0.000	1	129.8940	0.000	1	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){3|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	131.0210	0.035	2	131.0210	0.001	2	131.0210	0.001	2	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	129.1322	0.300	4	129.1322	0.090	4	129.1322	0.090	4	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	131.7070	0.249	2	131.7070	0.062	2	131.7070	0.062	2	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.3415	0.103	2	127.3415	0.011	2	127.3415	0.011	2	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	130.5345	0.548	2	130.6685	0.127	4	130.9926	0.656	7	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	130.8650	0.000	1	130.6685	0.127	4	130.9926	0.656	7	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.7400	0.000	1	130.6685	0.127	4	130.9926	0.656	7	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,5|C<3>}	130.1140	0.000	1	130.1140	0.000	1	130.9926	0.656	7	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	132.1060	0.000	1	132.0800	0.001	2	130.9926	0.656	7	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	132.0540	0.000	1	132.0800	0.001	2	130.9926	0.656	7	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	128.8660	0.543	2	128.8660	0.295	2	128.8492	0.126	5	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	128.8380	0.323	3	128.8380	0.104	3	128.8492	0.126	5	129.4431	4.706	61	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,1|N<3>,2|C<3>}	129.2800	0.000	1	129.2800	0.000	1	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	130.2980	0.000	1	130.2980	0.000	1	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	130.4440	0.000	1	130.4440	0.000	1	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	130.2450	0.697	2	129.9443	0.514	3	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	129.3430	0.000	1	129.9443	0.514	3	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	130.0670	0.000	1	130.0670	0.000	1	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	130.0470	0.061	3	130.0470	0.004	3	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,2|C<3>}	124.5300	0.000	1	124.5300	0.000	1	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	124.4156	0.480	8	124.4156	0.231	8	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	123.8420	0.000	1	123.8420	0.000	1	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	130.0140	0.000	1	130.0140	0.000	1	127.3226	8.513	21	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:C[4]-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	132.6185	0.274	2	132.6185	0.075	2	132.6185	0.075	2	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|C<4>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	129.6770	0.000	1	129.6439	0.584	10	130.0492	1.436	12	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|I<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	129.9945	0.477	2	129.6439	0.584	10	130.0492	1.436	12	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	128.2680	0.000	1	129.6439	0.584	10	130.0492	1.436	12	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	130.3380	0.721	2	129.6439	0.584	10	130.0492	1.436	12	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	129.4573	0.650	4	129.6439	0.584	10	130.0492	1.436	12	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO){1|C<4>,3|C<3>}	131.4920	0.000	1	131.4920	0.000	1	130.0492	1.436	12	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	132.6590	0.000	1	132.6590	0.000	1	130.0492	1.436	12	128.5600	8.172	35	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	132.7930	0.000	1	132.8195	0.001	2	132.8195	0.001	2	132.8195	0.001	2	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<4>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	132.8460	0.000	1	132.8195	0.001	2	132.8195	0.001	2	132.8195	0.001	2	129.0455	7.114	3586	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.1240	0.433	2	121.1240	0.187	2	121.1240	0.187	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|H<1>}	122.0070	0.000	1	122.0070	0.000	1	121.6277	0.164	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.6740	0.000	1	121.6740	0.000	1	121.6277	0.164	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.2020	0.000	1	121.2020	0.000	1	121.6277	0.164	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.0810	0.000	1	120.0810	0.000	1	119.7045	0.284	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.3280	0.000	1	119.3280	0.000	1	119.7045	0.284	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	121.5510	0.000	1	121.5510	0.000	1	122.0910	0.703	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.2830	0.000	1	122.1681	0.765	7	122.0910	0.703	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.0150	0.000	1	122.1681	0.765	7	122.0910	0.703	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.0820	0.000	1	122.1681	0.765	7	122.0910	0.703	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.9070	0.238	2	122.1681	0.765	7	122.0910	0.703	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.4915	1.008	2	122.1681	0.765	7	122.0910	0.703	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.6370	0.085	2	122.6370	0.007	2	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.2710	0.284	2	122.1617	0.076	3	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.9430	0.000	1	122.1617	0.076	3	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.9276	0.662	7	122.6845	0.849	8	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	120.9830	0.000	1	122.6845	0.849	8	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.4760	0.000	1	122.4760	0.000	1	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.5343	0.223	4	122.5343	0.050	4	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	120.0713	0.262	4	120.0713	0.069	4	122.0970	1.292	22	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2){1|N<3>,2|C<3>,2|H<1>}	122.3140	0.000	1	122.3140	0.000	1	122.3140	0.000	1	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a]){1|O<2>,1|S<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.1220	0.346	2	123.1220	0.120	2	123.1220	0.120	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|H<1>}	121.8310	0.000	1	121.8310	0.000	1	122.3697	0.503	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.1050	0.000	1	122.6390	0.570	2	122.3697	0.503	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.1730	0.000	1	122.6390	0.570	2	122.3697	0.503	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.4970	0.000	1	124.4970	0.000	1	124.8005	0.184	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.1040	0.000	1	125.1040	0.000	1	124.8005	0.184	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	121.8070	0.000	1	121.8070	0.000	1	122.0493	0.400	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.9700	0.000	1	121.6223	0.101	3	122.0493	0.400	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.4485	0.144	2	121.6223	0.101	3	122.0493	0.400	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.9780	0.000	1	122.4300	0.470	4	122.0493	0.400	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.7010	0.000	1	122.4300	0.470	4	122.0493	0.400	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.5205	0.750	2	122.4300	0.470	4	122.0493	0.400	8	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	120.3690	0.000	1	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.6940	0.000	1	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.0843	0.450	3	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.2210	0.290	2	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.3170	0.000	1	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.3410	0.000	1	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.4880	0.000	1	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.8137	0.136	3	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.0180	0.000	1	121.5259	0.342	14	121.5259	0.342	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2){1|N<3>,2|C<3>,2|H<1>}	121.0510	0.000	1	121.0510	0.000	1	121.0510	0.000	1	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	126.8980	0.130	2	126.8980	0.017	2	126.8980	0.017	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.9890	1.561	2	127.9607	0.821	4	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.9325	0.153	2	127.9607	0.821	4	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|Br<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	126.6530	0.000	1	126.6530	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	125.5780	0.000	1	125.5780	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){4|C<3>}	127.3775	4.166	2	127.3775	17.352	2	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	126.4810	0.000	1	126.4810	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|F<1>,1|H<1>,1|N<2>,4|C<3>}	129.1700	0.000	1	129.1700	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){7|C<3>}	123.5100	0.000	1	123.5100	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|F<1>,4|C<3>}	127.3090	0.000	1	127.3090	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	129.8070	0.000	1	130.1760	0.286	4	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.2990	0.582	3	130.1760	0.286	4	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)2{2|H<1>,3|C<3>}	128.9250	0.000	1	128.9250	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	128.9980	0.150	3	128.9980	0.023	3	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,3|C<3>}	127.3525	0.333	2	126.9340	0.581	3	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	126.0970	0.000	1	126.9340	0.581	3	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	128.1700	0.000	1	128.1700	0.000	1	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|C<2>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	126.6520	1.990	2	127.5158	1.665	29	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|Br<1>,3|C<3>}	129.2840	0.000	1	127.5158	1.665	29	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.5161	1.259	25	127.5158	1.665	29	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.4690	0.000	1	127.5158	1.665	29	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]O)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	125.8990	2.342	2	125.8990	5.485	2	127.6482	2.626	55	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a]){1|S<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.8850	0.000	1	124.8850	0.000	1	123.0108	1.247	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	120.7740	0.000	1	120.7740	0.000	1	123.0108	1.247	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.1787	0.538	3	122.1787	0.289	3	123.0108	1.247	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.2550	0.000	1	123.3284	0.516	9	123.0108	1.247	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|C<4>,3|C<3>}	124.0970	0.296	2	123.3284	0.516	9	123.0108	1.247	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.2512	0.578	6	123.3284	0.516	9	123.0108	1.247	14	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]S[5a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.2440	0.000	1	121.2440	0.000	1	123.6286	1.351	9	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]S[5a]){1|S<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.6670	0.000	1	124.6670	0.000	1	123.6286	1.351	9	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,3|C<3>}	123.0490	0.734	2	123.3063	0.468	3	123.6286	1.351	9	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.8210	0.000	1	123.3063	0.468	3	123.6286	1.351	9	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.2067	0.697	4	124.2067	0.486	4	123.6286	1.351	9	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a]){1|S<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.4590	0.000	1	123.3670	0.017	2	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a]){5|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.2750	0.000	1	123.3670	0.017	2	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	124.2360	0.378	5	124.4058	0.287	6	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.2550	0.000	1	124.4058	0.287	6	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	123.5070	0.000	1	123.5085	0.000	2	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	123.5100	0.000	1	123.5085	0.000	2	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	121.4330	3.285	2	121.4330	10.793	2	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.9965	0.111	2	122.9965	0.012	2	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	122.7770	0.000	1	122.7770	0.000	1	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){4|C<3>}	121.6142	0.395	4	121.6142	0.156	4	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]N)(C[6a]N[6a]H){4|C<3>}	124.3490	0.000	1	124.3490	0.000	1	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8410	1.747	4	122.8410	3.053	4	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.1760	0.000	1	124.8270	4.800	3	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.1525	2.621	2	124.8270	4.800	3	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	124.9760	0.756	3	124.9760	0.571	3	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.8290	0.000	1	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	123.4670	0.000	1	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	122.9560	0.404	2	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	123.0595	0.118	2	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>}	123.1000	0.000	1	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>}	121.4618	0.790	5	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,3|C<3>}	122.8880	0.000	1	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	123.0048	0.432	4	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	123.0782	0.579	5	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	122.2241	0.977	17	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,4|C<3>}	122.1666	1.029	5	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	122.7512	1.095	13	122.5165	0.925	57	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	123.5380	0.000	1	123.5380	0.000	1	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.3120	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|C<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.3690	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.2100	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	124.2525	0.216	2	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,3|C<3>}	124.6940	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,3|C<3>}	123.9110	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,3|C<3>}	123.6130	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,3|C<3>}	124.4890	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|P<4>,3|C<3>}	122.8010	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	123.5590	0.001	2	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.1164	0.846	45	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|O<2>,3|C<3>}	124.4430	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.9350	0.000	1	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){5|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.0025	0.093	2	124.0761	0.590	61	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]S)(C[6a]N[6a]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|S<2>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|N<3>,3|C<3>}	121.4820	0.000	1	121.4820	0.000	1	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a]){4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.5540	0.000	1	126.5540	0.000	1	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a]){4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,3|C<3>}	123.2850	0.000	1	123.2850	0.000	1	123.3575	1.646	152	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	123.6880	0.000	1	123.6880	0.000	1	124.6847	10.504	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[4,5]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	125.1830	4.418	2	125.1830	19.519	2	124.6847	10.504	3	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.6170	0.000	1	125.6170	0.000	1	121.9788	2.980	12	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.8610	0.000	1	118.8610	0.000	1	121.9788	2.980	12	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	122.5250	0.000	1	122.5250	0.000	1	121.9788	2.980	12	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.4843	0.126	3	121.8602	1.175	9	121.9788	2.980	12	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.1200	0.000	1	121.8602	1.175	9	121.9788	2.980	12	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.9677	1.266	4	121.8602	1.175	9	121.9788	2.980	12	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|O<2>}	121.2980	0.000	1	121.8602	1.175	9	121.9788	2.980	12	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.8590	0.000	1	118.8590	0.000	1	120.8640	8.040	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.8690	0.000	1	122.8690	0.000	1	120.8640	8.040	2	123.7622	5.433	317	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	2:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Re<6>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Re<6>,1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.2865	1.674	2	122.2865	2.801	2	122.2865	2.801	2	122.2865	2.801	2	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	126.1020	0.000	1	124.2170	2.486	4	124.5376	2.378	5	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Pt<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Pt<4>,1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.2530	0.000	1	124.2170	2.486	4	124.5376	2.378	5	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Re<6>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Re<6>,1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.2565	0.207	2	124.2170	2.486	4	124.5376	2.378	5	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.8200	0.000	1	125.8200	0.000	1	124.5376	2.378	5	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	128.8570	0.000	1	129.0990	0.117	2	128.3129	0.400	7	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	129.3410	0.000	1	129.0990	0.117	2	128.3129	0.400	7	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	127.9984	0.373	5	127.9984	0.139	5	128.3129	0.400	7	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:O[6a]-2:	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(O[6a]C[6a])	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(O[6a]C[6a]){1|N<2>,1|O<1>,3|C<3>}	128.5110	2.004	2	128.5110	4.016	2	128.5110	4.016	2	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	124.1520	0.000	1	124.1520	0.000	1	124.1520	0.000	1	126.8035	5.029	15	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	124.4970	0.715	3	124.1933	0.710	4	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.2820	0.000	1	124.1933	0.710	4	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mn<6>,1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Mn<6>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	121.6180	0.000	1	121.6180	0.000	1	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.2730	0.013	2	121.4510	0.095	3	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.8070	0.000	1	121.4510	0.095	3	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.0530	0.000	1	123.5430	0.480	2	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Pt<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.0330	0.000	1	123.5430	0.480	2	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.8269	0.497	16	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,2|N<2>}	123.1125	1.037	2	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Cd<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Cd<6>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,2|N<2>}	125.3710	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Cu<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Cu<5>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.6540	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Mn<6>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.0670	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mo<8>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Mo<8>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.6280	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Pt<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Pt<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.9247	1.645	3	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Re<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Re<6>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.4838	1.015	11	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Re<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Re<6>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,2|N<2>}	123.1490	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Si<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Si<6>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.9510	0.916	6	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Sn<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Sn<5>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.7140	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Zn<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Zn<5>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9690	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.6470	0.000	1	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.6303	0.879	3	123.6602	0.783	49	123.5454	1.027	59	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[6a]C[5a]C[6a])2(C[5a]N[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	C[6a](C[6a]C[5a]C[6a])2(C[5a]N[5a]2){1|N<2>,2|H<1>,3|C<3>,3|N<3>}	124.0100	1.382	2	124.0100	1.909	2	124.0100	1.909	2	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.5210	0.000	1	124.1513	2.252	6	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.0774	1.665	5	124.1513	2.252	6	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<3>}	121.4403	0.978	3	121.3007	0.716	4	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<3>}	120.8820	0.000	1	121.3007	0.716	4	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|O<2>,2|C<3>}	122.1210	0.000	1	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	122.4993	0.543	3	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>}	122.6391	0.697	8	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.3143	0.644	18	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,3|O<2>}	121.5500	0.000	1	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.3130	0.000	1	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	121.8890	0.000	1	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	121.7000	0.000	1	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	121.9088	0.821	21	122.1805	0.539	55	122.3082	1.060	65	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	125.1970	0.955	7	124.5761	3.432	10	124.5761	3.432	10	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.1273	2.866	3	124.5761	3.432	10	124.5761	3.432	10	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.8630	0.000	1	122.8630	0.000	1	122.0293	0.522	3	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(S[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	121.6125	0.030	2	121.6125	0.001	2	122.0293	0.522	3	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	128.1203	1.595	6	128.0731	1.845	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	127.9315	0.380	2	128.0731	1.845	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	128.5010	0.000	1	128.5010	0.000	1	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	128.2370	0.000	1	128.2370	0.000	1	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|N<2>,3|C<3>}	126.5248	0.544	5	126.5248	0.296	5	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,3|C<3>}	129.3070	0.000	1	129.3070	0.000	1	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	127.8690	0.000	1	128.7117	1.938	4	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	128.9927	1.560	3	128.7117	1.938	4	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	133.5470	0.042	2	133.5470	0.002	2	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	131.5190	0.829	5	131.5190	0.687	5	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|H<1>}	128.5625	0.595	2	129.1639	1.012	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)2{1|N<2>,4|C<3>}	129.3643	1.074	6	129.1639	1.012	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	125.7660	0.000	1	125.7660	0.000	1	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	129.7220	0.000	1	130.2975	0.662	2	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	130.8730	0.000	1	130.2975	0.662	2	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]F)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]F)2{1|N<2>,2|C<3>,2|F<1>}	127.9633	0.453	3	127.9633	0.205	3	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	130.0160	0.000	1	129.8084	0.243	5	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	129.2000	0.000	1	129.8084	0.243	5	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	129.9420	0.502	3	129.8084	0.243	5	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	125.8830	0.000	1	129.8371	5.973	11	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	131.1435	1.296	4	129.8371	5.973	11	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	129.6252	2.528	6	129.8371	5.973	11	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	129.2970	0.342	2	129.0009	2.347	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	129.2640	0.000	1	129.0009	2.347	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|N<2>,2|C<3>}	126.3010	0.000	1	129.0009	2.347	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	129.4620	1.625	4	129.0009	2.347	8	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	128.4090	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	128.6760	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,3|C<3>}	128.7765	0.223	2	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	128.6318	0.572	17	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,3|C<3>}	129.9550	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	129.4895	0.309	4	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<2>}	128.1953	1.504	4	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	128.8456	0.745	7	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	128.3590	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>,2|C<3>}	128.7745	0.112	2	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<2>}	128.1744	0.661	41	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	128.4283	0.776	9	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<2>,2|C<3>}	127.8650	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	128.8879	0.899	8	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	127.9310	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,3|C<3>}	128.8683	1.029	6	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|Ir<6>,1|H<1>,1|N<2>,2|C<3>}	129.9573	1.973	3	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|C<3>}	126.8110	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>}	129.0200	0.000	1	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	128.7309	0.818	118	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,4|C<3>}	127.6693	0.453	3	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	128.1777	1.152	9	128.6040	0.739	241	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	125.3940	0.000	1	125.3940	0.000	1	128.7120	1.473	307	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	132.4230	0.000	1	132.4230	0.000	1	131.0757	1.034	4	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	131.2100	0.000	1	131.2100	0.000	1	131.0757	1.034	4	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){1|Cl<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,4|C<3>}	130.3350	0.414	2	130.3350	0.172	2	131.0757	1.034	4	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](C[6a]C[6a,6a]N[6])(C[5a]N[5a]O[5a])(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[5a]N[5a]O[5a])(C[6a]N[6a]H){1|N<2>,2|C<4>,3|C<3>}	128.8130	0.000	2	128.8130	0.000	2	128.8130	0.000	2	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.9720	0.000	1	122.9720	0.000	1	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	125.8460	1.654	3	125.8460	2.734	3	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.8603	0.809	4	119.8603	0.655	4	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.5430	0.000	1	120.5430	0.000	1	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|F<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)2{1|N<2>,2|C<3>,2|F<1>}	122.7520	0.000	1	122.9370	0.068	2	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|F<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)2{1|N<2>,2|C<3>,2|H<1>}	123.1220	0.000	1	122.9370	0.068	2	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	124.3230	0.000	1	124.3230	0.000	1	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	122.0145	1.466	6	121.7491	2.285	7	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	120.1570	0.000	1	121.7491	2.285	7	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	123.6810	0.863	2	123.5702	0.280	5	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	123.4963	0.408	3	123.5702	0.280	5	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>}	122.5740	0.000	1	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	123.2718	1.090	5	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<2>}	122.6155	1.539	2	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.9205	0.889	6	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<2>,2|C<3>}	124.5940	0.000	1	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.3238	0.189	4	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>}	124.3745	0.525	2	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	123.6803	0.854	23	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|P<4>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	124.3720	0.000	1	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	123.8118	1.016	4	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<2>}	122.8645	0.635	12	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	123.5500	0.061	2	123.4296	0.862	63	123.1822	1.961	87	126.3682	9.470	539	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	2:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re)	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Re<6>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.2020	0.441	2	125.2020	0.195	2	125.2020	0.195	2	125.2020	0.195	2	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.7150	0.000	1	125.7150	0.000	1	125.7150	0.000	1	124.5918	0.424	6	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.3672	0.389	5	124.3672	0.151	5	124.3672	0.151	5	124.5918	0.424	6	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	121.9340	0.000	1	121.9340	0.000	1	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	123.5080	0.000	1	122.8880	0.383	3	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	122.5780	0.434	2	122.8880	0.383	3	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	122.8850	0.263	2	122.8850	0.069	2	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	122.9390	0.000	1	122.9390	0.000	1	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	122.0990	0.000	1	122.2635	0.054	2	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	122.4280	0.000	1	122.2635	0.054	2	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	124.5950	0.000	1	124.5950	0.000	1	122.8429	0.608	10	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	121.5980	0.000	1	121.5980	0.000	1	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	122.0350	0.000	1	122.9614	0.395	5	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	123.3310	0.279	2	122.9614	0.395	5	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	123.4750	0.000	1	122.9614	0.395	5	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	122.6350	0.000	1	122.9614	0.395	5	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	120.3700	0.000	1	120.3700	0.000	1	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	122.2670	0.000	1	122.2670	0.000	1	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ru)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ru){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	122.2405	0.276	2	122.2405	0.076	2	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.5730	0.000	1	121.5730	0.000	1	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.0390	0.000	1	122.0390	0.000	1	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Pt<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt){1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.4040	0.000	1	125.4040	0.000	1	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Re<6>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re){1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.2910	0.253	2	123.2910	0.064	2	122.6081	1.350	15	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	124.8335	1.778	4	125.2538	3.254	5	125.2538	3.254	5	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	126.9350	0.000	1	125.2538	3.254	5	125.2538	3.254	5	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	125.0830	0.000	1	125.0830	0.000	1	125.0830	0.000	1	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6])(S[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]S[5a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	126.3620	0.000	1	126.3620	0.000	1	126.3620	0.000	1	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	124.3700	0.682	2	123.8162	0.650	4	123.8162	0.650	4	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	123.2625	0.510	2	123.8162	0.650	4	123.8162	0.650	4	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	124.8990	0.000	1	124.8990	0.000	1	124.5859	1.048	8	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	124.2140	0.000	1	124.2140	0.000	1	124.5859	1.048	8	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	124.4310	0.404	3	124.4310	0.164	3	124.5859	1.048	8	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O)	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	122.6660	0.000	1	122.6660	0.000	1	124.5859	1.048	8	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	125.8075	0.172	2	125.8075	0.030	2	124.5859	1.048	8	123.5731	2.293	44	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.1790	0.000	1	123.1790	0.000	1	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|B<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	124.5890	0.000	1	123.9026	0.170	5	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.7310	0.176	4	123.9026	0.170	5	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>}	122.4827	1.753	3	122.7785	2.399	4	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|H<1>}	123.6660	0.000	1	122.7785	2.399	4	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	123.0130	0.619	3	123.0130	0.384	3	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<5>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	124.2390	0.000	1	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.8673	0.797	3	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Cu<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<5>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.5560	0.000	1	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>}	123.1120	0.570	2	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.5202	0.992	6	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mg<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mg<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.0600	0.819	2	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mn<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mn<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.2800	0.448	2	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ni<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ni<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	125.3310	0.000	1	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<5>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.9530	0.000	1	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<6>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.2470	1.284	2	123.4857	1.323	21	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.2370	0.000	1	122.7178	0.338	13	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.8636	0.624	8	122.7178	0.338	13	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.2965	0.246	4	122.7178	0.338	13	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.0430	0.000	1	122.8720	0.058	2	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	122.7010	0.000	1	122.8720	0.058	2	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.3467	0.360	3	123.3467	0.130	3	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	123.4057	1.885	10	123.4057	3.552	10	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	123.9500	0.000	1	123.9500	0.000	1	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<3>,2|C<3>}	122.8740	0.000	1	123.2274	0.271	12	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.5700	0.000	1	123.2274	0.271	12	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.0740	0.000	1	123.2274	0.271	12	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.3027	0.827	3	123.2274	0.271	12	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.5240	0.000	1	123.2274	0.271	12	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.3558	0.433	5	123.2274	0.271	12	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<3>}	123.0950	0.000	1	123.0950	0.000	1	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	124.2900	0.000	1	124.2900	0.000	1	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	124.0080	0.000	1	123.4632	1.410	15	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.4243	1.222	14	123.4632	1.410	15	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.9280	0.000	1	122.0658	2.141	6	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.2934	1.513	5	122.0658	2.141	6	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<3>}	123.2160	0.304	2	123.2673	0.054	3	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<3>}	123.3700	0.000	1	123.2673	0.054	3	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|O<2>,2|C<3>}	123.0710	0.000	1	123.3206	0.420	32	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	123.2853	0.055	3	123.3206	0.420	32	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>}	123.1594	0.679	8	123.3206	0.420	32	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.3267	0.725	15	123.3206	0.420	32	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,3|O<2>}	123.9410	0.000	1	123.3206	0.420	32	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.5540	0.715	4	123.3206	0.420	32	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	124.0537	0.551	3	123.6462	0.493	5	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.7920	0.000	1	123.6462	0.493	5	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.2780	0.000	1	123.6462	0.493	5	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	121.4770	0.000	1	121.4770	0.000	1	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.2170	0.000	1	123.2170	0.000	1	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.9220	0.000	1	118.9220	0.000	1	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	120.1975	0.115	2	120.1975	0.013	2	123.1743	1.267	143	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.5790	0.000	1	120.5790	0.000	1	121.1169	2.031	11	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.4485	0.407	2	120.4485	0.165	2	121.1169	2.031	11	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.9141	1.142	7	121.3512	2.646	8	121.1169	2.031	11	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.4110	0.000	1	121.3512	2.646	8	121.1169	2.031	11	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.1690	0.000	1	121.1690	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<3>,2|C<3>}	122.6000	0.000	1	122.7090	0.024	2	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.8180	0.000	1	122.7090	0.024	2	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.0260	0.000	1	122.0260	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	122.9588	1.491	10	122.9588	2.222	10	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	122.5570	0.000	1	122.0244	0.150	8	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.9255	0.239	4	122.0244	0.150	8	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.5670	0.000	1	122.0244	0.150	8	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.6845	0.173	2	122.0244	0.150	8	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	121.9587	0.431	3	121.9587	0.185	3	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.8350	0.000	1	121.5752	0.793	4	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Co){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.4887	1.069	3	121.5752	0.793	4	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Cu<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Cu){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.8100	0.000	1	121.8100	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	122.5480	0.000	1	122.5480	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.4442	0.425	4	122.3576	0.382	24	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.6650	0.000	1	122.3576	0.382	24	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.2874	0.766	9	122.3576	0.382	24	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.3543	0.182	3	122.3576	0.382	24	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.4987	0.681	7	122.3576	0.382	24	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>}	122.6343	2.143	3	122.1668	3.936	4	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|F<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|H<1>}	120.7640	0.000	1	122.1668	3.936	4	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>}	121.5925	0.240	2	122.4909	0.569	8	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ir){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.7903	0.596	6	122.4909	0.569	8	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mg)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mg<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mg){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.7770	0.744	2	122.7770	0.553	2	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mn)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mn<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Mn){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.9910	0.211	2	120.9910	0.044	2	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ni)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ni<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Ni){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	120.9980	0.000	1	120.9980	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<5>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.1760	0.000	1	122.1650	1.711	3	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Zn){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.6595	1.398	2	122.1650	1.711	3	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	126.3770	0.000	1	126.3770	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.2697	1.010	3	124.2697	1.021	3	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.6433	1.063	3	123.6433	1.131	3	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	126.8475	0.183	2	126.8475	0.034	2	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.5950	0.000	1	124.5950	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.2649	0.400	14	124.2532	0.180	16	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,2|N<2>}	124.1720	0.779	2	124.2532	0.180	16	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.7020	0.000	1	123.3965	0.187	2	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.0910	0.000	1	123.3965	0.187	2	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cd)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Cd<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cd){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,2|N<2>}	122.7940	0.000	1	122.7940	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cu)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Cu<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Cu){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.6060	0.000	1	123.6060	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	125.1910	0.000	1	125.1910	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.3190	0.000	1	124.3190	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mn<6>,1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	126.3870	0.000	1	126.3870	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mn){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.6310	0.000	1	124.6310	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mo)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Mo<8>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Mo){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.3770	0.000	1	123.3770	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4420	0.000	1	123.4420	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Pt<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Pt){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.5157	1.009	3	123.5157	1.018	3	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Re<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.3265	1.016	11	124.3316	0.938	12	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Re<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Re){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,2|N<2>}	124.3870	0.000	1	124.3316	0.938	12	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Si<6>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.8438	0.869	6	124.8438	0.755	6	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Sn)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Sn<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Sn){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.0690	0.000	1	124.0690	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Zn)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Zn<5>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Zn){2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.4780	0.000	1	125.4780	0.000	1	123.2035	2.034	134	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	125.1950	0.000	1	125.1950	0.000	1	125.1950	0.000	1	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[5a]C[6a])2(C[5a]N[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[6a]C[5a]C[6a])2(C[5a]N[5a]2){1|N<2>,2|H<1>,3|C<3>,3|N<3>}	123.8845	1.066	2	123.8845	1.136	2	123.8845	1.136	2	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.9916	0.677	5	127.8227	1.026	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.1135	0.013	2	127.8227	1.026	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.2740	0.513	2	127.8227	1.026	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	126.7913	1.519	4	127.8227	1.026	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.9860	0.965	11	127.8227	1.026	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.6200	0.000	1	128.6200	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	130.2950	0.000	1	128.5117	2.393	3	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.5330	0.000	1	128.5117	2.393	3	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){5|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.7070	0.000	1	128.5117	2.393	3	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.0460	0.000	1	127.0460	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.7630	0.000	1	125.7630	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	129.4457	0.289	3	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	129.4857	2.894	3	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.7765	0.129	2	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	129.2330	0.512	3	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	126.1202	5.066	4	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.3770	0.000	1	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.2000	0.000	1	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.0225	0.848	2	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	129.0120	0.000	1	128.3580	6.695	20	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|H<1>,3|C<3>}	131.7860	0.000	1	131.7860	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[6])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[6]){1|Cl<1>,1|H<1>,2|C<3>,2|S<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.7500	0.000	1	128.7500	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	128.4980	0.000	1	128.4980	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){4|C<3>}	123.7240	0.000	1	123.7240	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.0085	0.425	2	129.1565	1.515	4	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	127.4500	0.000	1	129.1565	1.515	4	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	129.1590	0.000	1	129.1565	1.515	4	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	126.4425	0.894	2	126.4425	0.800	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	128.5450	0.000	1	128.5450	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.8460	0.000	1	128.6972	0.405	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	128.4390	0.000	1	128.6972	0.405	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.6235	0.428	8	128.6972	0.405	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|O<2>,3|C<3>}	128.5380	0.000	1	128.6972	0.405	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	129.1140	0.000	1	128.6972	0.405	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.7341	0.836	12	128.6972	0.405	24	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.9010	0.000	1	127.9010	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]O)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]O){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	129.0630	0.000	1	129.0630	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	127.1380	0.000	1	127.7840	0.835	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S){3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	128.4300	0.000	1	127.7840	0.835	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	127.0310	0.000	1	127.0310	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	131.0170	0.000	1	131.0170	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	126.8290	0.280	2	129.6654	5.449	13	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	130.1811	2.152	11	129.6654	5.449	13	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	127.2095	1.016	2	127.2095	1.032	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	127.8160	0.000	1	128.0430	0.103	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	128.2700	0.000	1	128.0430	0.103	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	128.0890	0.774	2	128.0890	0.598	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	129.1740	0.287	2	129.1740	0.082	2	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	127.5700	0.000	1	127.5700	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	131.8350	0.000	1	131.8350	0.000	1	128.4393	3.084	114	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<3>,2|H<1>}	122.9247	0.590	9	122.9247	0.348	9	124.7487	6.559	15	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	128.2720	0.000	1	128.2720	0.000	1	124.7487	6.559	15	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	127.5125	0.660	2	127.5125	0.435	2	124.7487	6.559	15	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	124.6420	0.000	1	124.6420	0.000	1	124.7487	6.559	15	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	127.2500	0.000	1	127.2500	0.000	1	124.7487	6.559	15	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H){1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	129.7190	0.000	1	129.7190	0.000	1	124.7487	6.559	15	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6,6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6,6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	125.3050	0.000	1	125.3050	0.000	1	125.3050	0.000	1	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	127.0580	0.000	1	127.0580	0.000	1	127.0580	0.000	1	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a])	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a]){1|N<2>,1|S<2>,5|C<3>}	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.7690	0.000	1	122.7690	0.000	1	122.7690	0.000	1	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	125.1410	0.240	2	125.1410	0.058	2	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.7414	0.451	5	123.8612	0.205	13	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.9978	0.509	5	123.8612	0.205	13	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,3|C<3>}	123.9260	0.629	2	123.8612	0.205	13	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.6470	0.000	1	123.8612	0.205	13	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.0615	0.561	2	123.7000	0.366	12	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.4460	0.000	1	123.7000	0.366	12	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.4230	0.423	3	123.7000	0.366	12	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){5|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.7557	0.193	3	123.7000	0.366	12	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.4317	1.002	3	123.7000	0.366	12	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.1210	0.000	1	126.1210	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	125.5260	0.000	1	125.5260	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.7830	0.000	1	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|P<4>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.2110	0.000	1	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|S<4>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.9050	0.000	1	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,3|C<3>}	124.0350	0.000	1	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.6777	1.361	3	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.2040	0.000	1	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|C<2>,1|H<1>,3|C<3>}	123.7837	0.925	8	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.5445	2.370	6	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.5220	0.000	1	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.2770	0.366	2	123.7914	1.685	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,1|P<4>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.6483	0.689	3	123.8582	0.873	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.6750	0.000	1	123.8582	0.873	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.3788	0.451	6	123.8582	0.873	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){2|C<4>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.8595	1.004	11	123.8582	0.873	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.7767	1.150	4	123.8582	0.873	25	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.7300	0.000	1	125.7300	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|F<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	122.0340	0.000	1	122.0340	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	124.5750	0.000	1	124.0339	0.569	21	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.3480	0.000	1	124.0339	0.569	21	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.1350	0.000	1	124.0339	0.569	21	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	124.0363	0.774	18	124.0339	0.569	21	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.2550	0.000	1	123.2550	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S){1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	123.8490	0.000	1	123.8490	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	125.0690	0.000	1	125.0690	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	123.0050	0.000	1	123.0050	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]S[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]S[5a]O)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]S[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]S[5a]O){2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	121.5930	0.000	1	121.5930	0.000	1	123.8973	0.999	107	124.4656	6.528	532	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:2:	3:4:	3:3:3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH){4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<4>,2|H<1>}	122.0645	0.487	2	122.0645	0.237	2	122.0645	0.237	2	122.0645	0.237	2	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:2:2:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	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])	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,3|C<3>}	122.2360	0.322	2	122.2360	0.104	2	122.2360	0.104	2	122.2360	0.104	2	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.8510	0.000	1	119.8510	0.000	1	120.0557	0.129	3	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.1580	0.443	2	120.1580	0.196	2	120.0557	0.129	3	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a]){6|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.5500	0.000	1	119.6525	0.021	2	119.5673	0.223	10	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.7550	0.000	1	119.6525	0.021	2	119.5673	0.223	10	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.7605	0.412	6	119.7605	0.170	6	119.5673	0.223	10	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6a]){2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.9800	0.000	1	118.9800	0.000	1	119.5673	0.223	10	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.8250	0.000	1	118.8250	0.000	1	119.5673	0.223	10	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|Br<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	119.9930	0.926	2	119.9930	0.858	2	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.4890	1.513	2	119.1376	1.197	5	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5700	0.741	3	119.1376	1.197	5	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.8508	0.442	6	117.8508	0.195	6	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	117.6413	0.160	3	117.6413	0.026	3	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.0790	0.424	2	120.9015	1.509	21	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.6260	0.098	2	120.9015	1.509	21	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.9249	0.729	7	120.9015	1.509	21	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	118.8280	0.000	1	120.9015	1.509	21	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.9132	1.635	9	120.9015	1.509	21	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.7395	0.538	2	122.7395	0.290	2	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	119.4870	0.000	1	119.4870	0.000	1	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	119.7820	0.000	1	119.7820	0.000	1	119.9849	2.941	41	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.3730	0.000	1	117.3730	0.000	1	120.1005	0.809	14	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.4087	0.397	7	120.2570	0.319	8	120.1005	0.809	14	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.1950	0.000	1	120.2570	0.319	8	120.1005	0.809	14	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6a]){3|C<3>,4|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.2965	0.118	2	120.2965	0.014	2	120.1005	0.809	14	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){3|C<3>,4|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.1950	0.000	1	120.1950	0.000	1	120.1005	0.809	14	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.5950	0.231	2	120.5950	0.053	2	120.1005	0.809	14	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.4820	0.246	2	118.9180	0.985	3	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.7900	0.000	1	118.9180	0.985	3	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.3160	0.000	1	119.3160	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6466	1.445	9	119.7657	1.894	18	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.6470	1.189	2	119.7657	1.894	18	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,2|N<3>,3|C<3>}	122.6100	0.000	1	119.7657	1.894	18	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.8044	0.905	5	119.7657	1.894	18	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0370	0.000	1	119.7657	1.894	18	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.4840	0.226	2	117.4840	0.051	2	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2425	0.047	2	120.2425	0.002	2	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.5080	0.728	4	118.5080	0.530	4	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.3980	0.071	2	119.2871	0.316	9	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.6540	1.082	2	119.2871	0.316	9	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.0417	0.638	3	119.2871	0.316	9	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.1775	0.207	2	119.2871	0.316	9	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.2710	0.000	1	121.2710	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.7030	0.000	1	120.7030	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	119.8180	0.000	1	119.8180	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	121.5510	0.000	1	121.5510	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	120.8415	0.200	2	120.9388	0.226	10	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	121.8060	0.000	1	120.9388	0.226	10	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	120.8427	0.440	7	120.9388	0.226	10	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,3|H<1>}	118.6820	0.106	2	118.6820	0.011	2	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.4460	0.000	1	122.4460	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.6830	0.000	1	121.3555	0.512	14	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	121.5100	0.433	2	121.3555	0.512	14	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.3885	0.772	11	121.3555	0.512	14	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.3950	1.087	4	120.3950	1.182	4	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|I<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	121.0070	0.590	2	121.0070	0.348	2	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)2{2|C<3>,2|C<4>,2|N<3>}	119.8730	0.000	1	119.8730	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{2|C<3>,2|H<1>,2|N<3>}	122.1150	0.000	1	122.1150	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	119.6180	0.000	1	119.7363	0.838	19	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	118.7280	0.000	1	119.7363	0.838	19	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.4265	0.721	6	119.7363	0.838	19	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	119.9235	1.016	10	119.7363	0.838	19	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	120.8500	0.000	1	119.7363	0.838	19	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.4770	0.000	1	119.9630	0.528	2	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	119.4490	0.000	1	119.9630	0.528	2	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	120.1350	0.000	1	120.1350	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.0875	0.551	2	121.4762	0.305	4	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.8650	0.078	2	121.4762	0.305	4	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|S<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	118.8990	0.000	1	118.8990	0.000	1	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	120.4005	0.523	2	119.8464	0.366	13	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	119.7909	0.641	9	119.8464	0.366	13	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	119.5420	0.076	2	119.8464	0.366	13	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	120.3607	0.885	6	120.3607	0.784	6	120.0971	1.414	124	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(C[6a]C[6a]2)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	117.6150	0.000	1	117.6150	0.000	1	119.6138	1.328	5	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	120.1135	0.326	4	120.1135	0.106	4	119.6138	1.328	5	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.9140	0.000	1	118.7903	1.246	3	119.6377	2.000	7	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.7750	0.000	1	118.7903	1.246	3	119.6377	2.000	7	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.6820	0.000	1	118.7903	1.246	3	119.6377	2.000	7	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	118.2960	0.000	1	119.8320	4.719	2	119.6377	2.000	7	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.3680	0.000	1	119.8320	4.719	2	119.6377	2.000	7	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.3650	0.000	1	120.7145	0.244	2	119.6377	2.000	7	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.0640	0.000	1	120.7145	0.244	2	119.6377	2.000	7	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	118.8650	0.000	1	118.0170	0.440	4	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.8190	0.000	1	118.0170	0.440	4	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.1110	0.000	1	118.0170	0.440	4	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.2730	0.000	1	118.0170	0.440	4	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.0060	0.000	1	118.0060	0.000	1	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	116.9470	0.000	1	116.9470	0.000	1	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.5270	0.000	1	120.5270	0.000	1	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|F<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.1780	0.000	1	120.1780	0.000	1	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.2728	0.442	4	119.2728	0.195	4	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.0633	0.977	3	118.9932	0.393	6	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	118.9230	0.114	3	118.9932	0.393	6	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.6230	0.000	1	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	118.9208	0.971	5	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.4820	0.000	1	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.7915	0.134	2	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.1360	0.000	1	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.4490	0.324	2	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.2730	1.078	2	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.9460	0.000	1	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.7070	0.000	1	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.2975	1.136	2	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.6520	0.000	1	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.4913	0.366	3	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.6775	0.749	2	119.5250	0.484	24	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9630	0.000	2	119.9630	0.000	2	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	122.0330	0.000	1	122.0330	0.000	1	119.3186	0.936	45	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.3065	0.284	2	123.3065	0.080	2	123.3065	0.080	2	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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]2)(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	124.0635	0.124	2	124.0635	0.015	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	124.4180	0.000	1	124.4180	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.7378	0.846	5	122.7378	0.715	5	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	124.5140	0.689	2	124.5140	0.474	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	124.9390	0.775	2	125.7142	1.292	4	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	126.4895	0.934	2	125.7142	1.292	4	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0795	0.764	2	122.1365	2.798	17	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	121.9382	2.000	10	122.1365	2.798	17	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	124.1840	0.000	1	122.1365	2.798	17	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>}	122.8555	0.373	2	122.1365	2.798	17	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	122.4425	0.131	2	122.1365	2.798	17	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.7750	0.000	1	122.7384	0.781	5	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	122.9792	0.809	4	122.7384	0.781	5	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.4180	0.000	1	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.4155	0.990	10	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.8810	0.112	2	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.4752	1.694	6	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.1412	0.576	6	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.4695	0.895	46	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	122.1795	2.131	2	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<4>,4|C<3>}	122.9540	0.397	2	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>}	121.7830	0.000	1	122.5221	0.981	76	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.1240	0.000	1	122.1240	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[5])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.5830	0.000	1	123.5830	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[5])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.8097	1.494	17	122.7547	2.155	18	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[5])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	121.8200	0.000	1	122.7547	2.155	18	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.2735	2.039	2	123.2735	4.156	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.1253	0.396	3	122.1253	0.157	3	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	121.5570	0.000	1	121.5570	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|P<4>,4|C<3>}	122.8100	0.000	1	122.8891	1.114	48	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	122.7963	0.721	6	122.8891	1.114	48	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.9047	1.115	41	122.8891	1.114	48	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.9865	0.918	4	123.9865	0.842	4	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,4|C<3>}	120.5860	0.684	3	120.9145	0.743	4	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	121.9000	0.000	1	120.9145	0.743	4	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.5200	0.847	6	122.9243	0.915	40	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	121.3930	0.000	1	122.9243	0.915	40	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	123.0400	0.000	1	122.9243	0.915	40	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	124.3500	0.000	1	122.9243	0.915	40	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.8809	0.914	27	122.9243	0.915	40	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{6|C<3>}	122.3250	1.085	3	122.9243	0.915	40	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.3080	0.000	1	122.9243	0.915	40	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]Co)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Co<5>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<5>,2|H<1>,3|C<3>}	121.4990	0.000	1	122.7770	1.346	3	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]Co)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Co<6>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<6>,2|H<1>,3|C<3>}	123.4160	0.492	2	122.7770	1.346	3	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]Cu)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Cu<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,2|H<1>,3|C<3>}	123.0320	0.000	1	123.0320	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	123.9450	0.000	1	123.9450	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	125.3955	0.322	4	125.3955	0.103	4	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	122.7230	0.000	1	122.7840	0.192	3	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	123.2490	0.000	1	122.7840	0.192	3	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	122.3800	0.000	1	122.7840	0.192	3	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){3|C<3>,3|H<1>}	120.8120	2.089	2	120.8120	4.363	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.4550	0.000	1	124.4550	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	125.3465	1.525	2	124.3112	3.117	9	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	121.0620	0.000	1	124.3112	3.117	9	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.5077	1.391	6	124.3112	3.117	9	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	122.6240	0.000	1	122.6240	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	124.3250	0.000	1	124.7316	0.607	22	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>}	125.0330	0.000	1	124.7316	0.607	22	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.7369	0.811	20	124.7316	0.607	22	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	125.8360	0.000	1	125.7319	3.263	7	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.7950	0.000	1	125.7319	3.263	7	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.4984	0.532	5	125.7319	3.263	7	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H){3|C<3>,3|H<1>}	124.0460	0.099	2	124.0460	0.010	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	123.3350	0.000	1	123.3350	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,3|H<1>}	125.4840	0.000	1	125.4840	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	125.4400	0.000	1	124.6791	1.250	8	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,2|H<1>,3|C<3>}	125.8730	0.000	1	124.6791	1.250	8	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|I<1>,2|H<1>,3|C<3>}	125.6240	0.000	1	124.6791	1.250	8	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	124.0992	1.021	5	124.6791	1.250	8	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	123.6230	0.000	1	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	122.5690	0.000	1	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	122.2240	0.000	1	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	123.7843	0.506	4	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	123.0100	0.000	1	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,2|H<1>,3|C<3>}	123.6950	0.016	2	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	123.1096	0.595	9	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|H<1>,3|C<3>}	122.7930	0.000	1	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	123.0479	0.640	14	123.1589	0.390	34	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){3|C<3>,3|H<1>}	124.9350	0.372	2	124.9350	0.138	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.2040	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	123.7880	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	122.6570	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.0170	0.810	2	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	124.5560	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	124.9450	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	124.3590	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	126.0530	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	124.3143	0.854	4	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	124.4500	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	123.9500	0.000	1	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	125.0150	1.171	2	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.5828	0.719	34	124.5117	0.591	51	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	123.5670	0.273	2	122.6373	0.760	6	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	122.3280	0.000	1	122.6373	0.760	6	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	122.1207	0.742	3	122.6373	0.760	6	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	123.0570	0.000	1	123.0570	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]S)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2{1|S<4>,2|H<1>,3|C<3>}	124.3820	0.000	1	124.3820	0.000	1	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]Zn)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,2|H<1>,3|C<3>}	122.3630	0.000	1	122.9695	0.736	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]Zn)(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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Zn<5>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,2|H<1>,3|C<3>}	123.5760	0.000	1	122.9695	0.736	2	123.3066	1.950	397	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-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])	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.3945	1.234	2	122.3945	1.523	2	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-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])	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>}	124.8630	0.000	1	124.8630	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-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])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.2710	0.000	1	123.2710	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	124.7920	0.000	1	124.7920	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	121.9210	0.000	1	121.9210	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	126.0750	0.000	1	126.0750	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	123.0400	0.000	1	123.0400	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	121.4670	0.000	1	121.4670	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	124.1213	2.178	4	124.1213	4.743	4	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	123.6030	0.000	1	123.6030	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.6010	0.000	1	123.6010	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	124.6665	0.132	2	124.6665	0.017	2	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	124.7190	0.000	1	124.6870	0.002	2	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	124.6550	0.000	1	124.6870	0.002	2	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	121.7160	0.939	2	121.7160	0.882	2	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O){1|H<1>,4|C<3>}	123.4070	0.000	1	123.4070	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.3910	0.000	1	122.3910	0.000	1	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.8935	1.459	2	121.8935	2.128	2	123.4252	2.417	25	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(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])	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	123.5760	0.400	2	123.5760	0.160	2	123.8564	0.980	5	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6,6a]H)2(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)2(C[5a]N[5a]2){1|H<1>,2|C<4>,3|C<3>}	125.5650	0.000	1	125.5650	0.000	1	123.8564	0.980	5	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(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])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2){1|H<1>,4|C<3>}	123.2825	0.158	2	123.2825	0.025	2	123.8564	0.980	5	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	124.1140	0.000	1	124.1140	0.000	1	124.1140	0.000	1	122.0551	4.558	682	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	2:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N){1|C<3>,1|H<1>,3|N<2>}	126.9980	0.000	1	126.9980	0.000	1	126.9980	0.000	1	126.9980	0.000	1	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	121.6045	0.261	2	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.6045	0.261	2	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	122.1070	0.000	1	122.1840	0.077	3	122.1840	0.077	3	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|P<3>,2|C<3>}	122.4910	0.000	1	122.1840	0.077	3	122.1840	0.077	3	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.9540	0.000	1	122.1840	0.077	3	122.1840	0.077	3	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	119.7860	1.196	2	119.7860	1.431	2	119.7860	1.431	2	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	119.8175	0.844	2	119.8175	0.712	2	119.8175	0.712	2	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.2125	0.610	17	122.1169	0.462	45	122.1169	0.462	45	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.0910	0.852	11	122.1169	0.462	45	122.1169	0.462	45	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.9723	0.645	15	122.1169	0.462	45	122.1169	0.462	45	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.5320	0.703	2	122.1169	0.462	45	122.1169	0.462	45	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(N[5a]O[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	118.5230	0.000	1	118.5230	0.000	1	118.5230	0.000	1	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-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])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.5905	0.496	2	121.5905	0.246	2	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	124.4390	1.925	2	124.4390	3.705	2	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	124.8320	0.269	2	124.8320	0.072	2	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	123.1695	0.664	2	123.2077	0.742	29	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	122.9810	0.000	1	123.2077	0.742	29	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	123.7080	0.000	1	123.2077	0.742	29	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	123.1998	0.914	25	123.2077	0.742	29	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	123.0730	0.000	1	123.0730	0.000	1	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|Cu<6>,1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<6>,1|N<2>,2|C<3>,2|H<1>}	121.4720	0.000	1	121.4720	0.000	1	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.8912	0.857	6	124.3335	0.852	12	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	124.7758	0.818	6	124.3335	0.852	12	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.8508	1.078	8	123.8508	1.162	8	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	126.4750	0.328	4	126.4750	0.108	4	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|In<3>,1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|In<3>,1|C<3>,2|H<1>,2|N<2>}	126.8720	0.000	1	126.8720	0.000	1	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Pt)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Pt)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Pt<4>,1|C<3>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|C<3>,2|H<1>,2|N<2>}	125.6780	0.000	1	125.6780	0.000	1	123.8182	1.878	63	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Cu)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Cu)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Cu<6>,1|C<3>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a]){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,3|N<2>}	121.6860	0.000	1	121.6860	0.000	1	124.3100	18.117	3	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,3|N<2>}	125.6220	5.090	2	125.6220	25.906	2	124.3100	18.117	3	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	123.5870	0.000	1	123.7650	0.063	2	123.2855	0.697	4	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	123.9430	0.000	1	123.7650	0.063	2	123.2855	0.697	4	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.8060	1.052	2	122.8060	1.107	2	123.2855	0.697	4	122.9770	2.648	123	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5,5a]C[6a])(N[5a]N[5,5a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(N[5a]N[5,5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.7557	1.687	3	120.7557	2.846	3	120.5700	2.035	4	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5,5a]N[5,5a]P[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5,5a]C[6a])(N[5a]N[5,5a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]N[5,5a]P[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(N[5a]N[5,5a]){1|B<4>,1|P<4>,2|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	120.0130	0.000	1	120.0130	0.000	1	120.5700	2.035	4	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]){2|C<3>,2|N<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.0724	0.842	11	121.0419	0.655	12	121.0043	0.619	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]){2|C<3>,2|N<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.7070	0.000	1	121.0419	0.655	12	121.0043	0.619	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a]){4|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.5530	0.000	1	120.5530	0.000	1	121.0043	0.619	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	119.9630	0.000	1	119.9630	0.000	1	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.2407	0.872	3	120.2407	0.760	3	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.2030	0.000	1	120.2030	0.000	1	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.6100	0.000	1	120.6900	2.252	9	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	118.4320	0.000	1	120.6900	2.252	9	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	120.7970	0.000	1	120.6900	2.252	9	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.4070	0.000	1	120.6900	2.252	9	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.2890	0.000	1	120.6900	2.252	9	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.9188	0.316	4	120.6900	2.252	9	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6]){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	120.9030	0.000	1	120.9030	0.000	1	120.5334	1.471	15	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	117.7290	0.000	1	117.7290	0.000	1	117.9441	1.869	11	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.2220	0.000	1	117.2220	0.000	1	117.9441	1.869	11	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.6120	0.000	1	115.6120	0.000	1	117.9441	1.869	11	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){2|H<1>,3|C<3>,4|O<2>}	120.9220	0.000	1	119.7147	1.129	3	117.9441	1.869	11	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){3|C<3>,3|H<1>,3|O<2>}	119.1110	0.269	2	119.7147	1.129	3	117.9441	1.869	11	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	117.5356	0.216	5	117.5356	0.047	5	117.9441	1.869	11	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.8820	0.000	1	119.6850	1.290	2	119.9670	1.254	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.4880	0.000	1	119.6850	1.290	2	119.9670	1.254	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.3975	0.142	2	120.1550	1.732	3	119.9670	1.254	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.6700	0.000	1	120.1550	1.732	3	119.9670	1.254	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.5880	0.000	1	118.5078	1.335	5	118.5078	1.335	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	117.3160	0.569	2	118.5078	1.335	5	118.5078	1.335	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.1595	0.401	2	118.5078	1.335	5	118.5078	1.335	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	120.8955	0.035	2	120.8955	0.001	2	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.5570	0.000	1	120.8282	0.342	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	120.9525	0.641	2	120.8282	0.342	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.7395	0.305	4	120.8282	0.342	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.0578	0.532	6	120.8282	0.342	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|N<2>,1|N<3>,3|C<3>}	118.7060	2.148	2	118.7060	4.615	2	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.7850	1.373	2	120.3623	1.479	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.5170	0.000	1	120.3623	1.479	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.3980	0.000	1	120.7273	0.349	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|Br<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.3920	0.151	2	120.7273	0.349	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	118.6680	0.000	1	118.6680	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	119.9600	0.000	1	119.9600	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<2>,1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.2485	0.467	6	120.8281	0.749	22	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.1103	0.797	6	120.8281	0.749	22	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.6707	0.818	3	120.8281	0.749	22	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.0790	0.000	1	120.8281	0.749	22	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	120.9690	0.000	1	120.8281	0.749	22	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.8230	1.084	4	120.8281	0.749	22	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.7140	0.000	1	120.8281	0.749	22	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<6>,1|N<3>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|Ir<6>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|N<2>,1|N<3>,2|C<3>,2|F<1>}	122.3210	0.000	1	122.3210	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.6880	0.000	1	121.6880	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	121.9260	0.000	1	121.9260	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	120.0215	0.674	2	121.0467	3.380	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	123.0970	0.000	1	121.0467	3.380	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	122.0590	0.000	1	121.5610	0.496	2	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.0630	0.000	1	121.5610	0.496	2	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	124.4540	0.000	1	124.4540	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.5795	0.223	2	119.0390	0.901	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	117.9580	0.000	1	119.0390	0.901	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	123.0830	0.000	1	123.0830	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.4500	0.000	1	122.4500	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.9870	0.696	3	119.9870	0.485	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.0660	0.000	1	119.9367	0.090	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.8720	0.395	2	119.9367	0.090	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.4383	2.784	3	119.4383	7.751	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	123.9060	1.102	2	122.6442	2.577	6	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.8280	0.290	2	122.6442	2.577	6	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	123.1985	1.091	2	122.6442	2.577	6	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	120.5380	0.269	2	120.6841	2.300	7	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.7426	1.849	5	120.6841	2.300	7	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.8620	0.000	1	119.8620	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.5685	0.172	2	121.5685	0.030	2	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.0073	0.690	68	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	121.3775	0.952	2	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	123.7020	0.000	1	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	124.3690	0.000	1	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.9102	0.992	10	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.2670	0.000	1	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.5282	0.316	4	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.4120	0.000	1	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	121.9663	0.869	3	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.9701	0.817	72	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	122.1120	0.000	1	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.5610	0.239	3	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	125.8130	0.000	1	122.0272	0.702	168	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|I<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	120.8433	0.891	6	120.8433	0.794	6	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|I<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	119.3543	0.842	4	120.4366	1.464	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|I<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|C<4>}	121.6123	0.732	4	120.4366	1.464	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|I<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	120.9210	0.783	3	120.4366	1.464	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|I<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	119.5235	0.146	2	120.4366	1.464	13	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	121.1600	0.000	1	120.3997	2.440	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,1|S<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	120.0195	2.003	2	120.3997	2.440	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	118.6620	0.000	1	118.6620	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	121.1807	0.264	3	121.1807	0.070	3	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|P<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,1|P<3>,2|H<1>}	118.9695	0.036	2	118.9695	0.001	2	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|P<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<3>,2|H<1>}	118.6270	0.000	1	118.1846	1.462	12	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|P<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<3>,2|H<1>}	120.0145	1.084	2	118.1846	1.462	12	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|P<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	117.7288	0.876	9	118.1846	1.462	12	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|Pd<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	116.9030	0.000	1	116.9030	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]Re)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]Re)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|Re<6>,1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Re<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.3100	0.000	1	118.3100	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]N[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|Rh<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<4>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.8520	0.000	1	117.8520	0.000	1	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	120.0263	1.806	3	120.0005	2.177	4	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|S<6>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<6>,2|H<1>}	119.9230	0.000	1	120.0005	2.177	4	121.3125	2.109	301	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.9330	0.000	1	117.8160	1.559	2	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.6990	0.000	1	117.8160	1.559	2	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|Br<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.0680	0.000	1	120.0680	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4570	0.000	1	122.4570	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	120.0380	0.272	2	119.3628	0.654	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	119.6830	0.000	1	119.3628	0.654	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	118.7830	0.000	1	119.3628	0.654	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	118.2720	0.000	1	119.3628	0.654	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	117.8600	0.000	1	117.8600	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	118.4968	0.882	5	118.4968	0.778	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	117.0670	0.000	1	118.3359	0.874	15	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.1720	0.876	6	118.3359	0.874	15	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.0720	0.000	1	118.3359	0.874	15	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3375	0.267	2	118.3359	0.874	15	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.2384	0.994	5	118.3359	0.874	15	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,2|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.7890	0.000	2	117.7890	0.000	2	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.8830	0.963	5	118.8830	0.928	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.1810	0.000	1	118.2400	0.452	3	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.9400	0.000	1	118.2400	0.452	3	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	117.5990	0.000	1	118.2400	0.452	3	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|Cl<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	121.1360	0.000	1	121.1360	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	118.9085	0.380	2	118.9085	0.144	2	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	120.9380	0.000	1	120.9380	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,3|H<1>}	119.8404	0.757	5	119.8404	0.574	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	118.5920	0.000	1	118.5920	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|Cl<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|C<3>,3|H<1>}	120.8630	0.000	1	120.8630	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	119.8856	0.765	5	119.8856	0.585	5	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.8590	0.040	2	119.8590	0.002	2	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	120.1835	0.586	15	119.8302	0.790	32	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	117.6545	0.798	2	119.8302	0.790	32	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	119.4555	0.668	2	119.8302	0.790	32	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	120.4840	0.000	1	119.8302	0.790	32	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	119.7772	0.803	11	119.8302	0.790	32	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|O<2>}	119.5610	0.000	1	119.8302	0.790	32	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.6080	0.000	1	118.6080	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	119.7310	0.000	1	119.7310	0.000	1	119.3007	1.310	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]S[5a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	118.1390	0.000	1	118.1390	0.000	1	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a]){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	117.9830	0.464	2	117.9830	0.215	2	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	119.2420	0.000	1	119.2420	0.000	1	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.4247	0.085	3	119.4247	0.007	3	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	119.3360	0.875	2	119.3360	0.766	2	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(S[5a]C[5a]){1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|S<2>}	117.6650	0.000	1	117.6650	0.000	1	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(S[5a]N[5a]){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.3000	0.017	2	118.3000	0.000	2	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(S[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	119.9470	1.838	2	119.9470	3.380	2	118.8894	0.954	14	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	122.9860	0.000	1	121.9930	1.972	2	121.9930	1.972	2	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	121.0000	0.000	1	121.9930	1.972	2	121.9930	1.972	2	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	124.7363	0.498	3	124.7363	0.248	3	124.3397	2.919	6	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	122.8765	2.517	2	122.8765	6.333	2	124.3397	2.919	6	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	126.0760	0.000	1	126.0760	0.000	1	124.3397	2.919	6	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	121.4240	0.000	1	122.8143	1.695	3	122.8143	1.695	3	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a]){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	123.5095	0.701	2	122.8143	1.695	3	122.8143	1.695	3	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	118.5673	0.462	3	118.5673	0.213	3	118.5673	0.213	3	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a]){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|O<2>,2|H<1>,7|C<3>}	120.9600	0.000	1	119.9040	2.230	2	120.2157	1.407	3	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a]){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|O<2>,2|H<1>,7|C<3>}	118.8480	0.000	1	119.9040	2.230	2	120.2157	1.407	3	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|O<2>,3|H<1>,6|C<3>}	120.8390	0.000	1	120.8390	0.000	1	120.2157	1.407	3	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|N<2>}	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	128.2060	0.264	2	128.2060	0.070	2	128.2060	0.070	2	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-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])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	124.9615	0.457	2	124.9615	0.209	2	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-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])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	123.6050	0.000	1	123.0178	0.944	5	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-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])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.8710	1.056	4	123.0178	0.944	5	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	122.6960	0.000	1	125.5935	16.791	2	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	128.4910	0.000	1	125.5935	16.791	2	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.9755	0.767	2	124.6595	1.545	4	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.3435	1.910	2	124.6595	1.545	4	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>,2|N<2>}	122.6530	0.000	1	123.2010	0.601	2	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.7490	0.000	1	123.2010	0.601	2	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.4280	1.684	2	123.6600	1.215	42	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	123.5560	0.486	6	123.6600	1.215	42	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<2>,2|O<2>}	125.0100	0.602	2	123.6600	1.215	42	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	123.9685	0.275	2	123.6600	1.215	42	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	122.4003	0.886	9	123.6600	1.215	42	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	123.4115	2.333	2	123.6600	1.215	42	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.0602	0.786	19	123.6600	1.215	42	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	124.5365	0.303	2	124.4935	0.080	4	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	124.4505	0.375	2	124.4935	0.080	4	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	125.7495	2.097	4	125.7495	4.399	4	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>}	128.3090	0.000	1	126.1470	9.348	2	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	123.9850	0.000	1	126.1470	9.348	2	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<2>,3|H<1>}	126.2387	1.445	3	126.2387	2.089	3	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	127.1110	0.000	1	126.2618	0.397	22	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	126.2150	0.610	14	126.2618	0.397	22	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	126.2341	0.676	7	126.2618	0.397	22	124.6163	2.701	92	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	125.2215	1.908	2	125.2215	3.642	2	125.2215	3.642	2	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.1160	0.304	2	126.1160	0.092	2	126.9948	2.099	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	126.6180	0.000	1	126.6035	0.000	2	126.9948	2.099	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	126.5890	0.000	1	126.6035	0.000	2	126.9948	2.099	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,3|N<2>}	129.5350	0.000	1	129.5350	0.000	1	126.9948	2.099	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]B[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]B[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|O<2>,3|H<1>}	121.6870	0.000	1	121.6870	0.000	1	124.1120	3.714	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	124.7182	1.582	4	124.7182	2.502	4	124.1120	3.714	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]){1|S<2>,3|C<3>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	123.4070	0.000	1	123.4070	0.000	1	123.4070	0.000	1	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|S<2>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	126.3480	0.000	1	126.3480	0.000	1	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|S<2>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	124.7788	1.972	4	124.7788	3.888	4	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	127.7875	1.399	2	127.7875	1.958	2	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<2>}	127.0290	1.072	2	127.0290	1.149	2	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|N<2>,3|C<3>}	128.6640	0.000	1	128.6640	0.000	1	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<3>,2|N<2>}	125.1750	0.000	1	125.9404	0.505	8	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<2>}	125.5600	0.000	1	125.9404	0.505	8	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	126.2960	0.000	1	125.9404	0.505	8	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,2|O<2>}	126.0984	0.799	5	125.9404	0.505	8	126.1824	2.319	18	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]B[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]N[5a,5a]C[6a])(O[5a]B[5a,5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]B[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(O[5a]B[5a,5a]){1|O<2>,4|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,2|H<1>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,3|C<3>,4|H<1>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	124.3640	0.000	1	124.3640	0.000	1	124.2420	0.961	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<2>}	125.6400	0.000	1	125.6400	0.000	1	124.2420	0.961	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<2>}	123.0860	0.404	2	124.1038	0.936	11	124.2420	0.961	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	123.3150	0.000	1	124.1038	0.936	11	124.2420	0.961	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	124.4569	0.886	8	124.1038	0.936	11	124.2420	0.961	13	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	122.0545	0.551	2	122.0545	0.303	2	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	122.9140	0.000	1	122.9140	0.000	1	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	120.1505	1.201	2	120.1505	1.443	2	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	124.5500	0.000	1	123.7108	1.077	5	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	122.7405	0.660	2	123.7108	1.077	5	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	124.2615	0.825	2	123.7108	1.077	5	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|N<2>}	127.8110	0.000	1	127.8110	0.000	1	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	124.6480	0.000	1	124.0452	0.511	5	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|N<2>}	123.6985	0.047	2	124.0452	0.511	5	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	124.0905	1.197	2	124.0452	0.511	5	123.3697	3.672	16	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	124.0200	0.000	1	124.0200	0.000	1	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	123.0630	0.223	2	123.0630	0.050	2	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	123.2750	1.584	3	123.2750	2.508	3	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	123.0760	0.000	1	123.2645	0.071	2	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	123.4530	0.000	1	123.2645	0.071	2	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	123.6320	0.000	1	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	122.3940	0.058	2	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|S<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	123.7530	0.000	1	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|S<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	123.7810	0.000	1	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	123.3990	1.397	2	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	123.3432	1.166	22	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	123.8150	0.376	2	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	125.5000	0.000	1	123.4197	1.220	32	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	124.1220	0.225	2	124.1220	0.051	2	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a]Cu)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[5a](N[5a]N[5a]Cu)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|Cu<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|Cu<4>,1|C<3>,1|H<1>,2|N<2>}	124.4180	0.000	1	124.4180	0.000	1	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	124.0370	0.206	2	124.0370	0.043	2	123.4815	1.054	45	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	122.0410	0.000	1	122.0410	0.000	1	123.2496	1.723	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	123.5517	1.299	4	123.5517	1.688	4	123.2496	1.723	5	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	121.7140	0.000	1	121.7140	0.000	1	121.7140	0.000	1	121.8229	5.879	684	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	2:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	N[6a]-2:C[5a]-3:C[6a]-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])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H){1|C<4>,4|C<3>}	121.9530	0.000	1	121.9530	0.000	1	122.0615	0.024	2	122.7260	1.336	3	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	2:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.1700	0.000	1	122.1700	0.000	1	122.0615	0.024	2	122.7260	1.336	3	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	2:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	N[6a]-2:C[6a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a]){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2){1|H<1>,5|C<3>}	124.0550	0.000	1	124.0550	0.000	1	124.0550	0.000	1	122.7260	1.336	3	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){2|C<3>,2|N<2>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a]){3|C<3>,3|N<3>}	119.9760	0.000	1	119.9760	0.000	1	119.8493	1.129	3	120.7274	2.569	5	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<3>,3|N<2>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2{3|C<3>,3|N<3>}	119.7860	1.495	2	119.7860	2.234	2	119.8493	1.129	3	120.7274	2.569	5	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	122.0445	1.496	2	122.0445	2.237	2	122.0445	2.237	2	120.7274	2.569	5	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:S[6a]-2:C[5a]-3:	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]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>}	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]2){1|C<4>,5|C<3>}	121.4300	0.000	1	121.4300	0.000	1	121.4300	0.000	1	123.1010	3.770	3	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-2:C[5a]-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)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	123.9365	1.831	2	123.9365	3.351	2	123.9365	3.351	2	123.1010	3.770	3	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	116.6560	0.276	2	116.6560	0.076	2	116.6560	0.076	2	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a]){1|H<1>,2|C<4>,4|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.1827	1.035	19	120.1827	1.071	19	120.1827	1.071	19	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Ir<6>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	119.1570	0.000	1	119.1570	0.000	1	119.1197	0.159	4	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	119.1073	0.488	3	119.1073	0.238	3	119.1197	0.159	4	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7880	0.000	1	120.7880	0.000	1	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6,6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3025	0.110	2	120.3025	0.012	2	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.8090	1.127	2	120.8090	1.270	2	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.4585	0.323	2	120.4805	0.462	31	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	120.4640	0.736	26	120.4805	0.462	31	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.5705	0.344	2	120.4805	0.462	31	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	120.7740	0.000	1	120.4805	0.462	31	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.9210	0.000	1	120.5713	0.120	3	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	120.3965	0.238	2	120.5713	0.120	3	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	120.1570	0.000	1	120.1570	0.000	1	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	116.6020	0.000	1	116.6020	0.000	1	120.3995	0.767	41	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	123.7440	0.444	2	123.7440	0.197	2	123.7440	0.197	2	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.4790	0.000	1	120.6416	3.896	25	122.4104	10.706	44	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	120.2365	2.362	11	120.6416	3.896	25	122.4104	10.706	44	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.5515	0.169	2	120.6416	3.896	25	122.4104	10.706	44	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	120.9870	1.840	11	120.6416	3.896	25	122.4104	10.706	44	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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]N[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	120.3910	0.000	1	120.3910	0.000	1	122.4104	10.706	44	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	125.7628	0.749	16	124.9791	9.751	18	122.4104	10.706	44	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.7095	8.301	2	124.9791	9.751	18	122.4104	10.706	44	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	121.3100	0.000	1	121.3100	0.000	1	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	121.5290	0.963	2	121.5290	0.928	2	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	122.9812	1.383	5	122.9812	1.911	5	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	122.3350	0.000	1	122.3350	0.000	1	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	125.4697	0.036	6	125.4697	0.001	6	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	125.7040	0.503	4	125.7040	0.253	4	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-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])(C[5a]N[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.1985	0.131	2	123.1985	0.017	2	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<3>,1|H<1>,3|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	126.1570	0.000	1	126.1570	0.000	1	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	126.7430	0.000	1	126.5063	0.612	3	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	125.6330	0.000	1	126.5063	0.612	3	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	127.1430	0.000	1	126.5063	0.612	3	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	124.5080	0.000	1	124.5080	0.000	1	124.3778	3.356	26	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|N<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	120.2610	0.000	1	120.2610	0.000	1	122.1228	1.499	6	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	122.4952	0.913	5	122.4952	0.834	5	122.1228	1.499	6	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H)	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.1880	0.000	1	124.1880	0.000	1	124.1880	0.000	1	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){1|C<3>,3|N<2>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.1900	0.000	1	125.1900	0.000	1	125.1900	0.000	1	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	124.1650	0.000	1	123.5820	0.839	6	123.4369	0.536	10	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	123.2805	1.017	4	123.5820	0.839	6	123.4369	0.536	10	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	124.2050	0.000	1	123.5820	0.839	6	123.4369	0.536	10	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	123.2120	0.351	2	123.2120	0.123	2	123.4369	0.536	10	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]S)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]S){1|N<2>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	123.2265	0.436	2	123.2265	0.190	2	123.4369	0.536	10	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	124.6040	0.000	1	123.0570	4.786	2	123.0570	4.786	2	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	121.5100	0.000	1	123.0570	4.786	2	123.0570	4.786	2	121.8963	6.795	158	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.5200	2.061	2	119.5200	4.246	2	120.3517	4.198	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|S<2>,5|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	122.0150	0.000	1	122.0150	0.000	1	120.3517	4.198	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,5|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	121.6810	0.610	2	121.6810	0.372	2	121.1453	1.047	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.0740	0.000	1	120.0740	0.000	1	121.1453	1.047	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.9560	0.000	1	119.9560	0.000	1	119.7633	0.155	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.3110	0.000	1	119.3110	0.000	1	119.7633	0.155	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a]){1|S<2>,5|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	120.0230	0.000	1	120.0230	0.000	1	119.7633	0.155	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,7|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7310	0.000	1	119.7310	0.000	1	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.2627	1.505	3	118.2627	2.264	3	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0635	0.107	2	118.8863	0.100	3	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.5320	0.000	1	118.8863	0.100	3	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,3|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.9920	0.000	1	117.9920	0.000	1	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8420	0.577	2	120.0847	0.886	4	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.2020	0.000	1	120.0847	0.886	4	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.4530	0.000	1	120.0847	0.886	4	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6910	0.000	1	119.6910	0.000	1	119.1692	1.285	13	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	121.3980	0.000	1	121.3980	0.000	1	118.4133	2.821	6	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.8164	0.924	5	117.8164	0.854	5	118.4133	2.821	6	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.2820	0.000	1	117.2820	0.000	1	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	115.1060	0.000	1	115.1060	0.000	1	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	115.9550	0.000	1	115.9550	0.000	1	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,3|F<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,3|C<3>}	120.4310	0.704	2	120.4310	0.496	2	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>}	119.4268	0.822	6	119.0761	0.831	9	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.3747	0.725	3	119.0761	0.831	9	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.7270	0.000	1	119.1157	1.245	7	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.6870	0.000	1	119.1157	1.245	7	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.9510	0.000	1	119.1157	1.245	7	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.5410	0.754	2	119.1157	1.245	7	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.6815	0.347	2	119.1157	1.245	7	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.2850	0.000	1	119.3637	1.040	3	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.3120	0.000	1	119.3637	1.040	3	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.4940	0.000	1	119.3637	1.040	3	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|F<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,3|C<3>}	118.8300	0.000	1	118.8300	0.000	1	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.4990	0.898	2	118.9915	0.597	4	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.3980	0.000	1	118.9915	0.597	4	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.5700	0.000	1	118.9915	0.597	4	118.8823	1.791	29	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	119.3050	0.000	1	119.4107	1.638	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	118.1870	0.000	1	119.4107	1.638	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	120.7400	0.000	1	119.4107	1.638	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.1420	0.000	1	118.1420	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	116.5340	0.000	1	116.5340	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6]){2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	117.8945	0.271	2	117.8945	0.073	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.4840	0.109	2	119.2305	0.098	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.9770	0.154	2	119.2305	0.098	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.6520	0.000	1	119.9650	1.010	131	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.3610	0.000	1	119.9650	1.010	131	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.1090	1.078	51	119.9650	1.010	131	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.0119	1.085	30	119.9650	1.010	131	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.6217	0.704	4	119.9650	1.010	131	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.8180	0.896	44	119.9650	1.010	131	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.6220	0.751	2	118.6220	0.564	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.6730	0.226	4	120.6730	0.051	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.4780	1.199	5	120.0643	1.232	17	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<5>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|Fe<5>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	121.3580	0.000	1	120.0643	1.232	17	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<3>,3|C<3>}	118.8620	0.000	1	120.0643	1.232	17	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.4082	1.075	5	120.0643	1.232	17	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.0780	0.000	1	120.0643	1.232	17	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.5910	0.615	4	120.0643	1.232	17	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.4540	0.000	1	120.4540	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	119.1330	0.000	1	119.1330	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.6400	0.000	1	118.5050	1.760	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.7590	0.000	1	118.5050	1.760	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.1160	0.000	1	118.5050	1.760	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	119.4650	0.000	1	119.4650	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	118.4710	1.266	2	118.4710	1.602	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.1458	0.709	9	119.1458	0.503	9	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|O<2>,4|C<3>}	117.0270	0.000	1	117.0270	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.7985	0.513	6	118.9353	0.350	7	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.7560	0.000	1	118.9353	0.350	7	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	120.3425	2.985	2	120.3425	8.908	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]N){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	118.8720	0.000	1	118.8720	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]S){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.4270	0.000	1	119.4270	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	117.5770	0.000	1	117.5770	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.7820	0.000	1	120.7820	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9660	0.000	1	118.6268	1.400	5	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.2920	1.058	4	118.6268	1.400	5	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5937	0.230	3	119.6962	1.638	5	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.3500	0.635	2	119.6962	1.638	5	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6540	0.000	1	120.6540	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.9430	0.297	2	120.9430	0.088	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.8560	1.697	2	119.8560	2.880	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.7404	0.350	5	121.8839	0.241	8	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	122.8190	0.000	1	121.8839	0.241	8	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.4650	0.000	1	121.8839	0.241	8	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	122.0850	0.000	1	121.8839	0.241	8	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	118.9910	0.000	1	118.9910	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	122.5917	0.204	3	122.1893	0.676	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.9820	0.000	1	122.1893	0.676	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.9610	0.000	1	122.0097	0.400	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	122.0340	0.892	2	122.0097	0.400	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	121.4360	0.000	1	120.9825	0.411	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	120.5290	0.000	1	120.9825	0.411	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	117.2140	0.000	1	117.2140	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.3740	0.000	1	118.1510	0.498	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	118.5395	0.299	2	118.1510	0.498	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	117.8270	0.000	1	117.8270	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	121.3695	0.370	2	121.3695	0.137	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7990	0.000	1	121.7990	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8335	0.559	2	119.8335	0.313	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.5920	2.133	2	119.5920	4.548	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.9430	0.000	1	118.9430	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	122.1223	0.760	3	122.1223	0.578	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.2120	0.000	1	121.2120	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.4480	0.409	2	120.8140	0.236	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1800	0.061	2	120.8140	0.236	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.7190	0.000	1	119.7190	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|O<2>}	122.4250	0.000	1	122.4250	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	121.8940	0.000	1	121.8940	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|Br<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|Br<1>,1|S<2>,2|C<3>,2|F<1>}	119.1830	0.000	1	119.1830	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|Br<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	118.7450	0.000	1	118.7450	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	117.6255	0.562	2	117.6255	0.316	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|S<2>,2|F<1>,3|C<3>}	118.1035	1.457	2	118.1035	2.124	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	117.2135	0.100	2	117.2135	0.010	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	118.2580	0.000	1	118.2580	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	116.7130	0.000	1	116.7130	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	117.8760	0.000	1	117.8760	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	116.0800	0.000	1	116.0800	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	117.1100	0.000	1	116.8675	0.576	6	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	116.6600	0.000	1	116.8675	0.576	6	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	116.8588	0.962	4	116.8675	0.576	6	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6]){2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.1130	0.000	1	117.1130	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|H<1>,1|S<2>,2|C<3>,2|F<1>}	119.3590	0.000	1	119.3590	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.1510	0.000	1	119.3073	0.579	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.3855	1.059	2	119.3073	0.579	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	119.2880	0.000	1	119.2880	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.9700	0.000	1	118.9677	0.667	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.3003	0.580	3	118.9677	0.667	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	118.6270	0.204	2	118.7348	0.315	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.4970	0.000	1	118.7348	0.315	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	118.1880	0.000	1	118.7348	0.315	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.1010	0.000	1	119.1010	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	116.3040	0.000	1	116.3040	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.7895	0.084	2	119.4653	0.319	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	118.8170	0.000	1	119.4653	0.319	3	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	118.8385	0.531	2	118.8385	0.282	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	119.5520	0.327	2	119.5520	0.107	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|S<2>,3|C<3>}	117.7250	0.000	1	117.2961	0.626	15	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|S<2>,3|C<3>}	117.2655	0.812	14	117.2961	0.626	15	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	117.7600	0.000	1	117.7600	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	117.0740	0.000	1	117.0740	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	118.4900	0.000	1	118.9689	0.517	26	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<2>,3|H<1>}	118.6440	0.000	1	118.9689	0.517	26	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.0024	0.739	24	118.9689	0.517	26	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|S<2>,3|C<3>}	117.1997	0.586	4	117.1997	0.344	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	118.5210	0.811	10	118.6537	0.651	13	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.0960	0.753	3	118.6537	0.651	13	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.5490	0.000	1	119.5490	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	119.3060	0.000	1	119.3060	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|I<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|S<2>,2|C<3>,2|H<1>}	116.8405	0.169	2	116.8405	0.029	2	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.4000	0.000	1	117.4000	0.000	1	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.7248	0.689	4	117.7248	0.475	4	119.4292	2.103	363	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.6560	0.000	1	119.6560	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.0850	0.000	1	117.0850	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	119.9670	0.000	1	120.6532	0.934	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.8820	1.043	3	120.6532	0.934	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.1375	0.350	2	120.1375	0.123	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	120.7370	0.000	1	120.7370	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	117.1300	0.000	1	117.1300	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.5690	0.788	2	118.5521	0.966	7	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.2080	0.662	3	118.5521	0.966	7	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.5515	1.037	2	118.5521	0.966	7	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.2610	0.000	1	119.3522	0.743	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.4430	0.000	1	119.3522	0.743	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	118.3010	0.000	1	119.3522	0.743	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	120.4040	0.000	1	119.3522	0.743	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.4038	0.918	5	119.0613	1.151	32	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.1292	0.719	6	119.0613	1.151	32	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	116.0570	0.000	1	119.0613	1.151	32	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6170	0.392	2	119.0613	1.151	32	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.0017	0.381	3	119.0613	1.151	32	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.5915	0.839	15	119.0613	1.151	32	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6795	0.535	2	119.4189	2.204	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.7125	0.787	4	119.4189	2.204	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.5145	0.691	2	119.4189	2.204	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4567	2.728	3	119.4189	2.204	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.3960	0.000	1	118.3960	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.4870	0.000	1	118.4870	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.9560	0.000	1	117.9560	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9582	1.126	9	118.9193	1.062	12	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.8027	0.864	3	118.9193	1.062	12	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6750	0.000	1	119.6750	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.2960	0.000	1	120.2960	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.4200	0.000	1	118.7434	0.715	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.5980	0.000	1	118.7434	0.715	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.3193	0.710	4	118.7434	0.715	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.9764	0.976	5	118.7434	0.715	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.9070	0.000	1	118.3465	0.628	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.7860	0.000	1	118.3465	0.628	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.8790	0.000	1	121.0160	0.038	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.1530	0.000	1	121.0160	0.038	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	118.4900	0.819	3	118.4900	0.671	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	120.2769	0.924	9	120.2769	0.854	9	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.5600	0.214	3	122.5600	0.046	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.4664	0.768	7	120.8831	1.310	19	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.7613	1.264	9	120.8831	1.310	19	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	122.2207	0.526	3	120.8831	1.310	19	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6]){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.1070	0.024	2	121.1070	0.001	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	119.9990	0.000	1	119.4215	0.667	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	118.8440	0.000	1	119.4215	0.667	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	120.6864	0.544	5	121.2803	2.353	6	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	124.2500	0.000	1	121.2803	2.353	6	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	118.2609	0.549	8	118.4890	0.732	9	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	120.3140	0.000	1	118.4890	0.732	9	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,3|H<1>}	118.3795	0.128	2	118.3795	0.016	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.4780	0.000	1	120.2069	0.509	80	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	122.4200	0.000	1	120.2069	0.509	80	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.1205	0.611	15	120.2069	0.509	80	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.1523	0.781	40	120.2069	0.509	80	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.1128	0.714	8	120.2069	0.509	80	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.3718	0.502	8	120.2069	0.509	80	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.2684	0.235	7	120.2069	0.509	80	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.2330	0.000	1	121.2330	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	119.4513	0.397	3	119.4522	0.333	5	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	119.4535	1.008	2	119.4522	0.333	5	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.6520	0.000	1	120.6520	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.6720	0.000	1	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.4583	0.163	3	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.7600	0.344	2	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.8810	0.000	1	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.9970	0.960	2	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.5913	0.793	4	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.3700	0.000	1	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.4366	0.843	18	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.2160	0.000	1	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.2043	0.485	3	120.4407	0.570	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cu<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.3910	1.085	2	121.9470	1.516	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cu<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	123.0590	0.000	1	121.9470	1.516	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Fe)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Fe<5>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Fe){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	122.1160	0.000	1	122.1160	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	119.8805	0.923	2	119.8805	0.852	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	117.5930	3.053	2	117.5930	9.323	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	117.2310	0.000	1	117.2310	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.5220	0.130	3	119.6416	0.359	20	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	118.7880	0.000	1	119.6416	0.359	20	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	119.8603	0.124	3	119.6416	0.359	20	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6778	0.920	4	119.6416	0.359	20	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	119.6874	0.640	9	119.6416	0.359	20	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	122.0320	0.000	1	122.0320	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|N<2>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.2253	0.157	3	120.4437	0.207	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.0990	0.000	1	120.4437	0.207	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.4830	0.000	1	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.5020	1.282	3	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.2183	1.561	3	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	121.7910	0.494	3	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.1677	0.362	10	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.3845	1.002	2	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.7720	0.000	1	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|O<2>}	118.9410	0.000	1	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.7639	0.817	12	120.8429	0.892	36	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	121.0820	0.000	1	119.6335	0.754	6	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<8>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.2993	0.636	4	119.6335	0.754	6	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<9>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.5220	0.000	1	119.6335	0.754	6	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.5540	0.236	2	120.5540	0.056	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	120.0770	0.276	2	120.0770	0.076	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.7180	0.000	1	120.1403	0.313	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	119.6020	0.000	1	120.1403	0.313	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	120.1010	0.000	1	120.1403	0.313	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Zn<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|O<2>}	127.6820	0.000	1	127.6820	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|I<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	118.5600	0.000	1	118.5600	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	117.7700	0.000	1	117.7700	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|N<3>}	117.4250	0.000	1	117.4250	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.3560	0.000	1	119.7155	0.258	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.0750	0.000	1	119.7155	0.258	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.9792	1.222	4	119.9792	1.493	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|O<2>}	120.8920	0.000	1	120.8920	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0724	0.777	5	120.0724	0.604	5	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|S<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	116.7000	0.000	1	117.7870	0.598	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	118.1493	0.330	3	117.7870	0.598	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|S<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	119.3070	0.000	1	119.9907	0.444	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	120.3325	0.432	2	119.9907	0.444	3	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|S<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	121.3425	1.894	2	121.3425	3.589	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	118.8810	0.000	1	118.8810	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|N<3>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.6650	0.000	1	117.6650	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|Se<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	118.0760	0.000	1	118.0760	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.5920	0.000	1	119.5920	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|O<2>}	121.5470	0.601	2	121.5470	0.361	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|Br<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.4620	0.000	1	122.4620	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.7760	0.000	1	119.4332	1.091	12	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.5530	0.000	1	119.4332	1.091	12	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.2869	1.052	10	119.4332	1.091	12	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|C<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.4060	0.000	1	119.8750	1.041	5	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.2873	0.604	3	119.8750	1.041	5	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.1070	0.000	1	119.8750	1.041	5	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.0210	0.000	1	121.0210	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.9100	0.378	2	121.9984	0.720	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	121.7670	0.000	1	121.9984	0.720	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.7994	0.847	8	121.9984	0.720	11	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.9635	0.858	12	121.9635	0.736	12	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.9550	0.000	1	121.8975	0.007	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.8400	0.000	1	121.8975	0.007	2	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.4308	1.016	4	122.4308	1.032	4	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.9110	0.000	1	121.9110	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	120.8340	0.000	1	120.8340	0.000	1	120.0881	1.898	438	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.2530	0.387	2	122.2530	0.150	2	122.2530	0.150	2	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){2|N<2>,2|N<3>,3|C<3>}	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N){2|N<3>,3|C<3>,4|H<1>}	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	119.5290	0.000	1	119.5290	0.000	1	119.8710	0.234	2	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	120.2130	0.000	1	120.2130	0.000	1	119.8710	0.234	2	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<3>,3|H<1>,6|C<3>}	121.5385	1.104	2	121.5385	1.218	2	120.9886	0.634	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<3>,3|H<1>,6|C<3>}	120.6220	0.394	3	120.6220	0.155	3	120.9886	0.634	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	123.0601	1.224	13	123.0601	1.497	13	123.1536	1.504	14	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	124.3690	0.000	1	124.3690	0.000	1	123.1536	1.504	14	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6,6a]C[6,6a]N[6])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a]Al)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Al<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[5a]N[5a]2)(C[6a]C[6a]H){1|Al<4>,1|H<1>,5|C<3>}	121.6870	0.000	1	121.6870	0.000	1	121.6870	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-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])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	123.8510	0.000	1	123.8510	0.000	1	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-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]N[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	124.4055	0.326	2	123.8437	1.000	3	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-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]N[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	122.7200	0.000	1	123.8437	1.000	3	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	122.9095	0.177	2	122.9095	0.032	2	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	125.7740	0.000	1	125.7740	0.000	1	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	126.6090	0.000	1	126.6090	0.000	1	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	125.6000	2.150	2	125.6000	4.621	2	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.6625	0.131	2	125.6625	0.017	2	124.6757	2.206	12	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	126.0435	0.353	2	126.0435	0.125	2	125.5323	0.846	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	124.5100	0.000	1	124.5100	0.000	1	125.5323	0.846	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	124.6690	0.000	1	124.6690	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	123.7350	0.884	2	123.7350	0.781	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.4090	0.000	1	126.4090	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	123.7110	0.000	1	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	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>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	124.8490	0.000	1	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	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>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	124.9510	0.000	1	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.6410	0.000	1	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.8405	0.333	2	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.7250	0.000	1	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.7638	1.347	20	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	123.5868	0.943	5	123.0552	1.576	32	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	123.2530	0.000	1	123.2530	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|P<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.4810	0.000	1	123.0885	0.614	4	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	123.1815	1.131	2	123.0885	0.614	4	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.5100	0.000	1	123.0885	0.614	4	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	124.6060	0.000	1	123.9698	0.706	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.8107	0.879	4	123.9698	0.706	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	123.2155	0.353	2	123.5190	1.182	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	124.5535	0.378	2	123.5190	1.182	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.0570	0.000	1	123.5190	1.182	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.9750	0.000	1	122.9205	0.006	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.8660	0.000	1	122.9205	0.006	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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]P)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P){2|C<3>,2|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.1510	0.000	1	122.1510	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.8887	0.390	3	126.8887	0.152	3	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	124.9375	1.491	2	124.9375	2.224	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	126.1150	0.000	1	126.1150	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	123.8475	1.101	6	123.3395	1.678	11	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	124.3070	0.000	1	123.3395	1.678	11	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	121.9967	1.188	3	123.3395	1.678	11	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	123.3520	0.000	1	123.3395	1.678	11	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.9210	0.000	1	124.9202	0.664	22	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.6645	1.175	2	124.9202	0.664	22	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	124.1035	0.455	4	124.9202	0.664	22	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	125.0630	0.662	14	124.9202	0.664	22	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	126.6990	0.000	1	124.9202	0.664	22	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	126.1450	0.000	1	126.1450	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	123.4400	0.000	1	123.4400	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.2773	2.105	3	125.2773	4.430	3	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.3230	0.307	2	126.3230	0.094	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	125.7080	0.000	1	124.8250	0.586	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.3050	0.000	1	124.8250	0.586	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	124.3240	0.618	2	124.8250	0.586	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	125.4640	0.000	1	124.8250	0.586	5	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	123.8920	0.000	1	123.8920	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	125.4937	0.268	6	125.4937	0.072	6	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	125.3160	0.000	1	125.5670	0.369	3	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	125.6925	0.803	2	125.5670	0.369	3	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.5480	0.086	2	124.5480	0.007	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	125.0680	0.000	1	124.9385	0.034	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	124.8090	0.000	1	124.9385	0.034	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	123.7170	0.000	1	123.7170	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	125.0230	0.000	1	125.0230	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	124.2690	0.000	1	124.2690	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])(C[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.4010	0.000	1	123.4010	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	124.3160	0.000	1	123.7635	0.611	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	123.2110	0.000	1	123.7635	0.611	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	126.9980	0.000	1	126.9980	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	126.8505	0.490	2	126.8505	0.240	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	126.3130	0.000	1	126.3130	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	126.0405	0.499	2	126.0405	0.249	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	125.8490	0.728	2	125.8490	0.530	2	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	127.7330	0.000	1	127.7330	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	125.6080	0.000	1	125.6080	0.000	1	124.3095	2.276	135	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	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])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	124.3460	0.000	1	124.3460	0.000	1	124.7928	1.865	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	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])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]P)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]P){1|C<4>,2|H<1>,5|C<3>}	126.9400	0.000	1	126.9400	0.000	1	124.7928	1.865	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	123.7115	0.315	2	123.7115	0.099	2	124.7928	1.865	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	125.2550	0.000	1	125.2550	0.000	1	124.7928	1.865	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	126.2767	0.680	8	126.2767	0.462	8	126.2357	0.370	10	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	126.0715	0.170	2	126.0715	0.029	2	126.2357	0.370	10	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-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])	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	124.2070	0.000	1	124.2070	0.000	1	124.5707	0.696	9	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	124.3635	1.450	2	124.3635	2.103	2	124.5707	0.696	9	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]O){2|H<1>,4|C<3>}	124.0265	0.114	2	124.0265	0.013	2	124.5707	0.696	9	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	125.0373	0.768	4	125.0373	0.590	4	124.5707	0.696	9	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:C[5a]-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])	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2){1|C<4>,2|H<1>,3|C<3>}	123.6755	0.043	2	123.6755	0.002	2	123.6755	0.002	2	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,3|H<1>}	121.4100	0.000	1	121.4100	0.000	1	122.3205	0.938	8	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,3|H<1>}	123.0680	0.000	1	123.0680	0.000	1	122.3205	0.938	8	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5600	0.000	1	120.5600	0.000	1	122.3205	0.938	8	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.0795	0.383	2	123.0553	0.075	3	122.3205	0.938	8	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-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])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.0070	0.000	1	123.0553	0.075	3	122.3205	0.938	8	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	122.1800	0.522	2	122.1800	0.272	2	122.3205	0.938	8	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,7|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.0970	0.000	1	122.0970	0.000	1	122.7335	0.810	2	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|S<2>,5|C<3>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.3700	0.000	1	123.3700	0.000	1	122.7335	0.810	2	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,8|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5,5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	128.6710	0.000	1	128.6710	0.000	1	128.6710	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){2|C<3>,2|N<2>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	123.5550	0.000	1	125.4000	2.565	3	125.4000	2.565	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){2|C<3>,2|N<2>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.3225	0.156	2	125.4000	2.565	3	125.4000	2.565	3	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a]){1|S<2>,5|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Br)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Br){4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.7070	0.000	1	122.7070	0.000	1	123.2624	2.192	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<3>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	121.5000	0.000	1	121.5000	0.000	1	123.2624	2.192	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	124.1695	1.859	2	124.1695	3.456	2	123.2624	2.192	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[5])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[5]){1|O<2>,6|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.7660	0.000	1	123.7660	0.000	1	123.2624	2.192	5	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>,4|N<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a]){1|B<4>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,1|N<3>,2|H<1>}	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]){8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	126.1030	0.000	1	126.1030	0.000	1	126.1030	0.000	1	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	125.1200	0.000	1	125.1200	0.000	1	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	121.7398	0.604	6	121.7398	0.365	6	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|C<3>}	119.6820	0.000	1	119.6820	0.000	1	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.3075	0.931	2	121.8930	0.298	6	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	121.6857	0.191	4	121.8930	0.298	6	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	124.3615	0.586	4	124.3615	0.344	4	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,5|C<3>}	120.6920	0.000	1	122.3210	2.177	13	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,4|C<3>}	121.5320	0.000	1	122.3210	2.177	13	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,5|C<3>}	121.4457	0.433	3	122.3210	2.177	13	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,4|C<3>}	122.2982	0.448	4	122.3210	2.177	13	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,5|C<3>}	122.0380	0.000	1	122.3210	2.177	13	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	124.1270	2.202	3	122.3210	2.177	13	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	124.4420	1.006	2	123.1132	1.150	15	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.9088	0.958	13	123.1132	1.150	15	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	121.5280	0.677	2	121.5280	0.459	2	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.4440	0.034	2	124.4440	0.001	2	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	124.2720	0.000	1	123.4216	0.689	11	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	124.6060	0.000	1	123.4216	0.689	11	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.2395	0.771	8	123.4216	0.689	11	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.8440	0.000	1	123.4216	0.689	11	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.6495	0.059	2	123.6495	0.003	2	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]Cu)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Cu)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|Cu<5>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cu<5>,2|H<1>,3|C<3>}	121.3230	0.000	1	121.3230	0.000	1	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]Ir)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Ir)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Ir<6>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Ir<6>,2|H<1>,3|C<3>}	122.9660	0.000	1	122.9660	0.000	1	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]Ru)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a]Ru)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|Ru<6>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<6>,2|H<1>,3|C<3>}	123.6240	0.503	2	123.6240	0.253	2	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	124.2865	0.083	2	124.2865	0.007	2	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	123.3896	1.171	10	123.3896	1.371	10	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	124.1860	0.796	2	123.7420	0.908	3	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	122.8540	0.000	1	123.7420	0.908	3	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.9410	0.000	1	123.9410	0.000	1	122.9755	1.665	83	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a]){8|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	124.5495	1.965	2	124.5495	3.861	2	124.5495	3.861	2	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	124.7570	0.000	1	124.7570	0.000	1	121.0407	3.864	6	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.4333	0.859	3	120.2974	0.686	5	121.0407	3.864	6	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247
727	519	643	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,3|C<3>}	120.0935	1.063	2	120.2974	0.686	5	121.0407	3.864	6	120.8204	5.529	1174	122.7048	9.352	4296	125.6697	17.790	8247